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Arguments

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Arguments

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Arguments

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Arguments

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Arguments

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Arguments

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Arguments

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Arguments

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Arguments

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Arguments

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Arguments

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Arguments

- + logical, intent(out), diff --git a/develop/interface/btree_delete.html b/develop/interface/btree_delete.html index f4c302d0fff..040f439b368 100644 --- a/develop/interface/btree_delete.html +++ b/develop/interface/btree_delete.html @@ -203,7 +203,7 @@

Arguments

- + type(btree_data_sp2d), intent(out), @@ -273,7 +273,7 @@

Arguments

- + type(btree_data_dp2d), intent(out), @@ -343,7 +343,7 @@

Arguments

- + type(btree_data_cp2d), intent(out), @@ -413,7 +413,7 @@

Arguments

- + type(btree_data_zp2d), intent(out), diff --git a/develop/interface/btree_find.html b/develop/interface/btree_find.html index 345d27e28da..89f1dbf9520 100644 --- a/develop/interface/btree_find.html +++ b/develop/interface/btree_find.html @@ -188,7 +188,7 @@

Arguments

- + integer(kind=keyt), intent(in) @@ -203,7 +203,7 @@

Arguments

- + type(btree_data_sp2d), intent(out) @@ -218,7 +218,7 @@

Arguments

- + logical, intent(out), @@ -273,7 +273,7 @@

Arguments

- + integer(kind=keyt), intent(in) @@ -288,7 +288,7 @@

Arguments

- + type(btree_data_dp2d), intent(out) @@ -303,7 +303,7 @@

Arguments

- + logical, intent(out), @@ -358,7 +358,7 @@

Arguments

- + integer(kind=keyt), intent(in) @@ -373,7 +373,7 @@

Arguments

- + type(btree_data_cp2d), intent(out) @@ -388,7 +388,7 @@

Arguments

- + logical, intent(out), @@ -443,7 +443,7 @@

Arguments

- + integer(kind=keyt), intent(in) @@ -458,7 +458,7 @@

Arguments

- + type(btree_data_zp2d), intent(out) @@ -473,7 +473,7 @@

Arguments

- + logical, intent(out), diff --git a/develop/interface/btree_new.html b/develop/interface/btree_new.html index f218af1af4e..9811041f5d3 100644 --- a/develop/interface/btree_new.html +++ b/develop/interface/btree_new.html @@ -188,7 +188,7 @@

Arguments

- + integer, intent(in), @@ -243,7 +243,7 @@

Arguments

- + integer, intent(in), @@ -298,7 +298,7 @@

Arguments

- + integer, intent(in), @@ -353,7 +353,7 @@

Arguments

- + integer, intent(in), diff --git a/develop/interface/create_block.html b/develop/interface/create_block.html index 6174b187903..17085c96bfe 100644 --- a/develop/interface/create_block.html +++ b/develop/interface/create_block.html @@ -174,7 +174,7 @@

Arguments

- + type(block_nd), intent(out) @@ -204,7 +204,7 @@

Arguments

- + real(kind=real_8), intent(in), @@ -244,7 +244,7 @@

Arguments

- + type(block_nd), intent(out) @@ -274,7 +274,7 @@

Arguments

- + real(kind=real_4), intent(in), @@ -314,7 +314,7 @@

Arguments

- + type(block_nd), intent(out) @@ -344,7 +344,7 @@

Arguments

- + complex(kind=real_8), intent(in), @@ -384,7 +384,7 @@

Arguments

- + type(block_nd), intent(out) @@ -414,7 +414,7 @@

Arguments

- + complex(kind=real_4), intent(in), @@ -454,7 +454,7 @@

Arguments

- + type(block_nd), intent(out) @@ -484,7 +484,7 @@

Arguments

- + integer, intent(in) diff --git a/develop/interface/csr_create.html b/develop/interface/csr_create.html index 169ef69ade9..78eeab624b7 100644 --- a/develop/interface/csr_create.html +++ b/develop/interface/csr_create.html @@ -265,7 +265,7 @@

Arguments

- + type(mp_comm_type), intent(in) @@ -280,7 +280,7 @@

Arguments

- + integer, intent(in), @@ -321,7 +321,7 @@

Arguments

- + type(csr_type), intent(out) @@ -336,7 +336,7 @@

Arguments

- + type(csr_type), intent(in) diff --git a/develop/interface/dbcsr_abort_interface.html b/develop/interface/dbcsr_abort_interface.html index 5473223e67d..826accd74db 100644 --- a/develop/interface/dbcsr_abort_interface.html +++ b/develop/interface/dbcsr_abort_interface.html @@ -153,7 +153,7 @@

Arguments

- + character(len=*), intent(in) @@ -168,7 +168,7 @@

Arguments

- + character(len=*), intent(in) diff --git a/develop/interface/dbcsr_add.html b/develop/interface/dbcsr_add.html index 010d415282e..6b9b46cb792 100644 --- a/develop/interface/dbcsr_add.html +++ b/develop/interface/dbcsr_add.html @@ -74,20 +74,20 @@

dbcsr_add
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 27 statements, 0.0% of total for procedures.">3 statements
  • - Source File + Source File
    • @@ -131,9 +131,8 @@

    Module Procedures

    - dbcsr_add_anytype - dbcsr_add_s dbcsr_add_d + dbcsr_add_s dbcsr_add_c dbcsr_add_z
    @@ -155,108 +154,7 @@

    public interface dbcsr_add

    Module Procedures

    -

    private subroutine dbcsr_add_anytype(matrix_a, matrix_b, alpha_scalar, beta_scalar, flop) -

    -
    - -

    add and scale matrices -A = alphaA + betaB or

    - -

    Arguments

    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    TypeIntentOptional AttributesName
    - - type(dbcsr_type), - intent(inout) - - ::matrix_a -

    DBCSR matrix

    -
    - - type(dbcsr_type), - intent(in) - - ::matrix_b -

    DBCSR matrix

    -
    - - type(dbcsr_scalar_type), - intent(in),optional - - ::alpha_scalar - -
    - - type(dbcsr_scalar_type), - intent(in),optional - - ::beta_scalar - -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop - -
    - - -
    -
    - -
    -

    private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -275,8 +173,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -290,8 +188,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -305,8 +203,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in) @@ -320,8 +218,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in) @@ -341,11 +239,11 @@

    Arguments

    -

    private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    -

    Interface for dbcsr_add

    +

    Arguments

    @@ -360,8 +258,8 @@

    Arguments

    @@ -490,7 +388,7 @@

    Arguments

    @@ -530,8 +428,8 @@

    Arguments

    @@ -575,7 +473,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_add_on_diag.html b/develop/interface/dbcsr_add_on_diag.html index 2adaf2cb0b1..274d34b630d 100644 --- a/develop/interface/dbcsr_add_on_diag.html +++ b/develop/interface/dbcsr_add_on_diag.html @@ -74,20 +74,20 @@

    dbcsr_add_on_diag
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 24 statements, 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -131,8 +131,8 @@

    Module Procedures

    + dbcsr_add_on_diag_d dbcsr_add_on_diag_s - dbcsr_add_on_diag_ds dbcsr_add_on_diag_c dbcsr_add_on_diag_z
    @@ -154,11 +154,11 @@

    public interface dbcsr_add_on_diag

    Module Procedures

    -

    private subroutine dbcsr_add_on_diag_s(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_d(matrix, alpha_scalar)

    -

    add a constant to the diagonal of a matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -375,8 +273,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -390,8 +288,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in) @@ -406,7 +304,7 @@

    Arguments

    - real(kind=real_8), + real(kind=real_4), intent(in) @@ -445,8 +343,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -460,8 +358,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -475,7 +373,7 @@

    Arguments

    - + complex(kind=real_4), intent(in)
    - + complex(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -545,8 +443,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -560,7 +458,7 @@

    Arguments

    - + complex(kind=real_8), intent(in)
    - + complex(kind=real_8), intent(in)
    @@ -173,8 +173,8 @@

    Arguments

    - + @@ -209,7 +209,7 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_ds(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_s(matrix, alpha_scalar)

    @@ -228,8 +228,8 @@

    Arguments

    - + @@ -264,11 +264,11 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_c(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_c(matrix, alpha_scalar)

    -

    add a constant to the diagonal of a matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -183,22 +183,22 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - - real(kind=real_4), + + real(kind=real_8), intent(in) ::alphaalpha_scalar -

    scalar

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -243,15 +243,15 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in) ::alphaalpha_scalar
    @@ -283,8 +283,8 @@

    Arguments

    @@ -306,9 +306,9 @@

    Arguments

    - + @@ -319,11 +319,11 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_z(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_z(matrix, alpha_scalar)

    -

    add a constant to the diagonal of a matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -293,12 +293,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + complex(kind=real_4), intent(in) ::alphaalpha_scalar -

    scalar

    +
    @@ -338,8 +338,8 @@

    Arguments

    @@ -361,9 +361,9 @@

    Arguments

    - + diff --git a/develop/interface/dbcsr_add_on_diag~2.html b/develop/interface/dbcsr_add_on_diag~2.html index a659c17ad33..7d5a908b6ac 100644 --- a/develop/interface/dbcsr_add_on_diag~2.html +++ b/develop/interface/dbcsr_add_on_diag~2.html @@ -74,20 +74,20 @@

    dbcsr_add_on_diag
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 106 statements, 0.2% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -131,8 +131,8 @@

    Module Procedures

    - dbcsr_add_on_diag_d dbcsr_add_on_diag_s + dbcsr_add_on_diag_ds dbcsr_add_on_diag_c dbcsr_add_on_diag_z
    @@ -154,11 +154,11 @@

    public interface dbcsr_add_on_diag

    Module Procedures

    -

    private subroutine dbcsr_add_on_diag_d(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_s(matrix, alpha)

    - +

    add a constant to the diagonal of a matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -348,12 +348,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + complex(kind=real_8), intent(in) ::alphaalpha_scalar -

    scalar

    +
    @@ -173,8 +173,8 @@

    Arguments

    - + @@ -209,7 +209,7 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_s(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_ds(matrix, alpha)

    @@ -228,8 +228,8 @@

    Arguments

    - + @@ -264,11 +264,11 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_c(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_c(matrix, alpha)

    - +

    add a constant to the diagonal of a matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -183,22 +183,22 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - - real(kind=real_8), + + real(kind=real_4), intent(in) ::alpha_scalaralpha - +

    scalar
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -243,15 +243,15 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in) ::alpha_scalaralpha
    @@ -283,8 +283,8 @@

    Arguments

    @@ -306,9 +306,9 @@

    Arguments

    - + @@ -319,11 +319,11 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_z(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_z(matrix, alpha)

    - +

    add a constant to the diagonal of a matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -293,12 +293,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + complex(kind=real_4), intent(in) ::alpha_scalaralpha - +

    scalar
    @@ -338,8 +338,8 @@

    Arguments

    @@ -361,9 +361,9 @@

    Arguments

    - + diff --git a/develop/interface/dbcsr_add~2.html b/develop/interface/dbcsr_add~2.html index aa8df9da888..1dd7b578b62 100644 --- a/develop/interface/dbcsr_add~2.html +++ b/develop/interface/dbcsr_add~2.html @@ -74,20 +74,20 @@

    dbcsr_add
  • 3 statements + title="

    0.0% of total for procedures.

    Including implementation: 119 statements, 0.2% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -131,8 +131,9 @@

    Module Procedures

    - dbcsr_add_d + dbcsr_add_anytype dbcsr_add_s + dbcsr_add_d dbcsr_add_c dbcsr_add_z
    @@ -154,7 +155,108 @@

    public interface dbcsr_add

    Module Procedures

    -

    private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_anytype(matrix_a, matrix_b, alpha_scalar, beta_scalar, flop) +

    +
    + +

    add and scale matrices +A = alphaA + betaB or

    + +

    Arguments

    +

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -348,12 +348,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + complex(kind=real_8), intent(in) ::alpha_scalaralpha - +

    scalar
    + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
    TypeIntentOptional AttributesName
    + + type(dbcsr_type), + intent(inout) + + ::matrix_a +

    DBCSR matrix

    +
    + + type(dbcsr_type), + intent(in) + + ::matrix_b +

    DBCSR matrix

    +
    + + type(dbcsr_scalar_type), + intent(in),optional + + ::alpha_scalar + +
    + + type(dbcsr_scalar_type), + intent(in),optional + + ::beta_scalar + +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop + +
    + + +
    +

    + +
    +

    private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -173,8 +275,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -188,8 +290,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -203,8 +305,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in) @@ -218,8 +320,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in) @@ -239,11 +341,11 @@

    Arguments

    -

    private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    - +

    Interface for dbcsr_add

    Arguments

    @@ -258,8 +360,8 @@

    Arguments

    @@ -428,8 +530,8 @@

    Arguments

    diff --git a/develop/interface/dbcsr_block_copy.html b/develop/interface/dbcsr_block_copy.html index 5dc3700cf47..3b527330457 100644 --- a/develop/interface/dbcsr_block_copy.html +++ b/develop/interface/dbcsr_block_copy.html @@ -215,7 +215,7 @@

    Arguments

    @@ -231,7 +231,7 @@

    Arguments

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    Arguments

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    Arguments

    @@ -389,7 +389,7 @@

    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

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    diff --git a/develop/interface/dbcsr_block_transpose.html b/develop/interface/dbcsr_block_transpose.html index 8b0a85f8b3d..093ea5ec0aa 100644 --- a/develop/interface/dbcsr_block_transpose.html +++ b/develop/interface/dbcsr_block_transpose.html @@ -202,7 +202,7 @@

    Arguments

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    diff --git a/develop/interface/dbcsr_build_row_index.html b/develop/interface/dbcsr_build_row_index.html index c354fd3b8fd..98ff71b6dad 100644 --- a/develop/interface/dbcsr_build_row_index.html +++ b/develop/interface/dbcsr_build_row_index.html @@ -171,7 +171,7 @@

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    diff --git a/develop/interface/dbcsr_conform_scalar.html b/develop/interface/dbcsr_conform_scalar.html index 62d8210e89f..08c61f42e7e 100644 --- a/develop/interface/dbcsr_conform_scalar.html +++ b/develop/interface/dbcsr_conform_scalar.html @@ -174,7 +174,7 @@

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    diff --git a/develop/interface/dbcsr_count_row_index.html b/develop/interface/dbcsr_count_row_index.html index 3e65baf088d..6cbee909dfe 100644 --- a/develop/interface/dbcsr_count_row_index.html +++ b/develop/interface/dbcsr_count_row_index.html @@ -171,7 +171,7 @@

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    @@ -186,7 +186,7 @@

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    @@ -201,7 +201,7 @@

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    @@ -241,7 +241,7 @@

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    @@ -256,7 +256,7 @@

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    diff --git a/develop/interface/dbcsr_create.html b/develop/interface/dbcsr_create.html index 6da5c445a91..a9725cdcbca 100644 --- a/develop/interface/dbcsr_create.html +++ b/develop/interface/dbcsr_create.html @@ -171,7 +171,7 @@

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    diff --git a/develop/interface/dbcsr_distribution_new.html b/develop/interface/dbcsr_distribution_new.html index a0db5d29598..d6b8ea94df2 100644 --- a/develop/interface/dbcsr_distribution_new.html +++ b/develop/interface/dbcsr_distribution_new.html @@ -172,7 +172,7 @@

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    diff --git a/develop/interface/dbcsr_dot.html b/develop/interface/dbcsr_dot.html index 92d39d099ea..c4701e33982 100644 --- a/develop/interface/dbcsr_dot.html +++ b/develop/interface/dbcsr_dot.html @@ -74,20 +74,20 @@

    dbcsr_dot
  • 3 statements + title="

    0.0% of total for procedures.

    Including implementation: 24 statements, 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -131,10 +131,10 @@

    Module Procedures

    @@ -154,11 +154,11 @@

    public interface dbcsr_dot

    Module Procedures

    -

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_d(matrix_a, matrix_b, result)

    -

    Dot product of DBCSR matrices

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -273,8 +375,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -289,7 +391,7 @@

    Arguments

    - real(kind=real_4), + real(kind=real_8), intent(in) @@ -303,8 +405,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in) @@ -343,8 +445,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -358,8 +460,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -373,7 +475,7 @@

    Arguments

    - + complex(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -443,8 +545,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -458,7 +560,7 @@

    Arguments

    - + complex(kind=real_8), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
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    - + integer, intent(in)
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    - + integer, intent(in)
    - + integer, intent(in),
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    - + type(dbcsr_type), intent(in)
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    - + type(dbcsr_type), intent(in)
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    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
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    - + logical, intent(in),
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    - + character(len=*), intent(in),
    - + type(dbcsr_type), intent(in)
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    - + integer, intent(in)
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    - + integer, intent(in)
    - + complex(kind=real_8), intent(in),
    - + real(kind=real_4),
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    - + complex(kind=real_4),
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    - + real(kind=real_8),
    - + complex(kind=real_4),
    - + complex(kind=real_8),
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_distribution_obj), intent(out)
    - + type(dbcsr_distribution_obj), intent(in),
    - + type(mp_comm_type), intent(in),
    - + integer,
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_distribution_obj), intent(out)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
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    - + type(dbcsr_mp_obj), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical,
    @@ -173,8 +173,8 @@

    Arguments

    - + @@ -226,12 +224,11 @@

    Arguments

    -

    private subroutine dbcsr_dot_sd(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, result)

    -

    Dot product of DBCSR matrices -\result the dot product of the matrices

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -183,14 +183,13 @@

    Arguments

    		:: matrix_a -

    DBCSR matrices -DBCSR matrices

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -199,23 +198,22 @@

    Arguments

    		:: matrix_b -

    DBCSR matrices -DBCSR matrices

    +
    - - real(kind=real_4), + + real(kind=real_8), intent(inout) ::traceresult -

    the trace of the product of the matrices

    +
    @@ -246,8 +243,8 @@

    Arguments

    - + @@ -299,11 +294,11 @@

    Arguments

    -

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, result)

    -

    Dot product of DBCSR matrices

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -256,14 +253,13 @@

    Arguments

    		:: matrix_a -

    DBCSR matrices -DBCSR matrices

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -272,21 +268,20 @@

    Arguments

    		:: matrix_b -

    DBCSR matrices -DBCSR matrices

    +
    - - real(kind=real_8), + + real(kind=real_4), intent(inout) ::traceresult
    @@ -318,8 +313,8 @@

    Arguments

    - + @@ -371,11 +364,11 @@

    Arguments

    -

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, result)

    -

    Dot product of DBCSR matrices

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -328,14 +323,13 @@

    Arguments

    		:: matrix_a -

    DBCSR matrices -DBCSR matrices

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -344,23 +338,22 @@

    Arguments

    		:: matrix_b -

    DBCSR matrices -DBCSR matrices

    +
    - - complex(kind=real_4), + + complex(kind=real_8), intent(inout) ::traceresult -

    the trace of the product of the matrices

    +
    @@ -390,8 +383,8 @@

    Arguments

    - + diff --git a/develop/interface/dbcsr_dot~2.html b/develop/interface/dbcsr_dot~2.html index df20587b0ce..a784adc8fdb 100644 --- a/develop/interface/dbcsr_dot~2.html +++ b/develop/interface/dbcsr_dot~2.html @@ -74,20 +74,20 @@

    dbcsr_dot
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 186 statements, 0.3% of total for procedures.">3 statements
  • - Source File + Source File
    • @@ -131,10 +131,10 @@

    Module Procedures

    @@ -154,11 +154,11 @@

    public interface dbcsr_dot

    Module Procedures

    -

    private subroutine dbcsr_dot_d(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, trace)

    - +

    Dot product of DBCSR matrices

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -400,14 +393,13 @@

    Arguments

    		:: matrix_a -

    DBCSR matrices -DBCSR matrices

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -416,23 +408,22 @@

    Arguments

    		:: matrix_b -

    DBCSR matrices -DBCSR matrices

    +
    - - complex(kind=real_8), + + complex(kind=real_4), intent(inout) ::traceresult -

    the trace of the product of the matrices

    +
    @@ -173,8 +173,8 @@

    Arguments

    - + @@ -224,11 +226,12 @@

    Arguments

    -

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_sd(matrix_a, matrix_b, trace)

    - +

    Dot product of DBCSR matrices +\result the dot product of the matrices

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -183,13 +183,14 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrices +DBCSR matrices
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -198,22 +199,23 @@

    Arguments

    		:: matrix_b - +

    DBCSR matrices +DBCSR matrices
    - - real(kind=real_8), + + real(kind=real_4), intent(inout) ::resulttrace - +

    the trace of the product of the matrices
    @@ -243,8 +246,8 @@

    Arguments

    - + @@ -294,11 +299,11 @@

    Arguments

    -

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, trace)

    - +

    Dot product of DBCSR matrices

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -253,13 +256,14 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrices +DBCSR matrices
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -268,20 +272,21 @@

    Arguments

    		:: matrix_b - +

    DBCSR matrices +DBCSR matrices
    - - real(kind=real_4), + + real(kind=real_8), intent(inout) ::resulttrace
    @@ -313,8 +318,8 @@

    Arguments

    - + @@ -364,11 +371,11 @@

    Arguments

    -

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, trace)

    - +

    Dot product of DBCSR matrices

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -323,13 +328,14 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrices +DBCSR matrices
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -338,22 +344,23 @@

    Arguments

    		:: matrix_b - +

    DBCSR matrices +DBCSR matrices
    - - complex(kind=real_8), + + complex(kind=real_4), intent(inout) ::resulttrace - +

    the trace of the product of the matrices
    @@ -383,8 +390,8 @@

    Arguments

    - + diff --git a/develop/interface/dbcsr_filter.html b/develop/interface/dbcsr_filter.html index 4b67c107b95..96f24a91f5e 100644 --- a/develop/interface/dbcsr_filter.html +++ b/develop/interface/dbcsr_filter.html @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -274,7 +274,7 @@

    Arguments

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    Arguments

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    Arguments

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    Arguments

    @@ -434,7 +434,7 @@

    Arguments

    @@ -474,7 +474,7 @@

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    @@ -489,7 +489,7 @@

    Arguments

    @@ -504,7 +504,7 @@

    Arguments

    @@ -519,7 +519,7 @@

    Arguments

    @@ -534,7 +534,7 @@

    Arguments

    @@ -574,7 +574,7 @@

    Arguments

    @@ -589,7 +589,7 @@

    Arguments

    @@ -604,7 +604,7 @@

    Arguments

    @@ -619,7 +619,7 @@

    Arguments

    @@ -634,7 +634,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_get_block_p.html b/develop/interface/dbcsr_get_block_p.html index 54905f59b12..660ce458814 100644 --- a/develop/interface/dbcsr_get_block_p.html +++ b/develop/interface/dbcsr_get_block_p.html @@ -74,20 +74,20 @@

    dbcsr_get_block_p
  • 5 statements + title="

    0.0% of total for procedures.

    Including implementation: 162 statements, 0.3% of total for procedures.">10 statements
  • - Source File + Source File
    • @@ -139,7 +139,14 @@

    Module Procedures

    dbcsr_get_2d_block_p_s dbcsr_get_2d_block_p_z dbcsr_get_2d_block_p_c - dbcsr_get_block_p_area + dbcsr_get_block_notrans_p_d + dbcsr_get_block_notrans_p_s + dbcsr_get_block_notrans_p_z + dbcsr_get_block_notrans_p_c + dbcsr_get_2d_block_notrans_p_d + dbcsr_get_2d_block_notrans_p_s + dbcsr_get_2d_block_notrans_p_z + dbcsr_get_2d_block_notrans_p_c
    @@ -163,7 +170,7 @@

    Module Procedures

    -

    Gets a 1-d block from a dbcsr matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -393,13 +400,14 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrices +DBCSR matrices
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -408,22 +416,23 @@

    Arguments

    		:: matrix_b - +

    DBCSR matrices +DBCSR matrices
    - - complex(kind=real_4), + + complex(kind=real_8), intent(inout) ::resulttrace - +

    the trace of the product of the matrices
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_scalar_type), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    @@ -178,8 +185,8 @@

    Arguments

    @@ -203,13 +210,12 @@

    Arguments

    @@ -219,13 +225,12 @@

    Arguments

    @@ -235,12 +240,12 @@

    Arguments

    @@ -250,12 +255,12 @@

    Arguments

    @@ -265,12 +270,12 @@

    Arguments

    @@ -280,13 +285,12 @@

    Arguments

    @@ -296,8 +300,7 @@

    Arguments

    @@ -312,7 +315,7 @@

    Arguments

    -

    Gets a 1-d block from a dbcsr matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -188,12 +195,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_8), :: block -

    the block to get (rank-1 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    @@ -327,8 +330,8 @@

    Arguments

    @@ -352,13 +355,12 @@

    Arguments

    @@ -368,13 +370,12 @@

    Arguments

    @@ -384,12 +385,12 @@

    Arguments

    @@ -399,12 +400,12 @@

    Arguments

    @@ -414,12 +415,12 @@

    Arguments

    @@ -429,13 +430,12 @@

    Arguments

    @@ -445,8 +445,7 @@

    Arguments

    @@ -461,7 +460,7 @@

    Arguments

    -

    Gets a 1-d block from a dbcsr matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -337,12 +340,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_4), :: block -

    the block to get (rank-1 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    @@ -476,8 +475,8 @@

    Arguments

    @@ -501,13 +500,12 @@

    Arguments

    @@ -517,13 +515,12 @@

    Arguments

    @@ -533,12 +530,12 @@

    Arguments

    @@ -548,12 +545,12 @@

    Arguments

    @@ -563,12 +560,12 @@

    Arguments

    @@ -578,13 +575,12 @@

    Arguments

    @@ -594,8 +590,7 @@

    Arguments

    @@ -610,7 +605,7 @@

    Arguments

    -

    Gets a 1-d block from a dbcsr matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -486,12 +485,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_8), :: block -

    the block to get (rank-1 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    @@ -625,8 +620,8 @@

    Arguments

    @@ -650,13 +645,12 @@

    Arguments

    @@ -666,13 +660,12 @@

    Arguments

    @@ -682,12 +675,12 @@

    Arguments

    @@ -697,12 +690,12 @@

    Arguments

    @@ -712,12 +705,12 @@

    Arguments

    @@ -727,13 +720,12 @@

    Arguments

    @@ -743,8 +735,7 @@

    Arguments

    @@ -759,7 +750,7 @@

    Arguments

    -

    Gets a 2-d block from a dbcsr matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -635,12 +630,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_4), :: block -

    the block to get (rank-1 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    @@ -774,8 +765,8 @@

    Arguments

    @@ -799,13 +790,12 @@

    Arguments

    @@ -815,13 +805,12 @@

    Arguments

    @@ -831,12 +820,12 @@

    Arguments

    @@ -846,12 +835,12 @@

    Arguments

    @@ -861,12 +850,12 @@

    Arguments

    @@ -876,13 +865,12 @@

    Arguments

    @@ -892,8 +880,7 @@

    Arguments

    @@ -908,7 +895,7 @@

    Arguments

    -

    Gets a 2-d block from a dbcsr matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -784,12 +775,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_8), :: block -

    the block to get (rank-2 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    @@ -923,8 +910,8 @@

    Arguments

    @@ -948,13 +935,12 @@

    Arguments

    @@ -964,13 +950,12 @@

    Arguments

    @@ -980,12 +965,12 @@

    Arguments

    @@ -995,12 +980,12 @@

    Arguments

    @@ -1010,12 +995,12 @@

    Arguments

    @@ -1025,13 +1010,12 @@

    Arguments

    @@ -1041,8 +1025,7 @@

    Arguments

    @@ -1057,7 +1040,7 @@

    Arguments

    -

    Gets a 2-d block from a dbcsr matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -933,12 +920,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_4), :: block -

    the block to get (rank-2 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    @@ -1072,8 +1055,8 @@

    Arguments

    @@ -1097,13 +1080,12 @@

    Arguments

    @@ -1113,13 +1095,12 @@

    Arguments

    @@ -1129,12 +1110,12 @@

    Arguments

    @@ -1144,12 +1125,12 @@

    Arguments

    @@ -1159,12 +1140,12 @@

    Arguments

    @@ -1174,13 +1155,12 @@

    Arguments

    @@ -1190,8 +1170,7 @@

    Arguments

    @@ -1206,7 +1185,7 @@

    Arguments

    -

    Gets a 2-d block from a dbcsr matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -1082,12 +1065,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_8), :: block -

    the block to get (rank-2 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    @@ -1221,8 +1200,8 @@

    Arguments

    @@ -1246,13 +1225,12 @@

    Arguments

    @@ -1262,13 +1240,12 @@

    Arguments

    @@ -1278,12 +1255,12 @@

    Arguments

    @@ -1293,12 +1270,12 @@

    Arguments

    @@ -1308,12 +1285,12 @@

    Arguments

    @@ -1323,13 +1300,12 @@

    Arguments

    @@ -1339,8 +1315,7 @@

    Arguments

    @@ -1351,11 +1326,11 @@

    Arguments

    -

    private subroutine dbcsr_get_block_p_area(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_block_notrans_p_d(matrix, row, col, block, found, row_size, col_size)

    -

    Gets a block from a dbcsr matrix as a data area

    Read more… +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -1231,12 +1210,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_4), :: block -

    the block to get (rank-2 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    @@ -1370,8 +1345,8 @@

    Arguments

    @@ -1395,13 +1370,12 @@

    Arguments

    @@ -1411,28 +1385,27 @@

    Arguments

    - + @@ -1440,15 +1413,129 @@

    Arguments

    - + + + + + + + + + + + + + + + + + + + + +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -1380,12 +1355,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - - type(dbcsr_data_obj), + + real(kind=real_8), intent(inout) - + DIMENSION(:), POINTER :: block -

    the block to get

    +
    - + logical, intent(out) ::trfound + +
    + + integer, + intent(out),optional + + ::row_size + +
    + + integer, + intent(out),optional + + ::col_size + +
    + + +
    +

    + +
    +

    private subroutine dbcsr_get_block_notrans_p_s(matrix, row, col, block, found, row_size, col_size) +

    +
    + + + +

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -1458,13 +1545,12 @@

    Arguments

    @@ -1474,13 +1560,12 @@

    Arguments

    @@ -1490,8 +1575,787 @@

    Arguments

    + + +
    TypeIntentOptional AttributesName
    + + type(dbcsr_type), + intent(in) + + ::matrix + +
    + + integer, + intent(in) + + ::row + +
    + + integer, + intent(in) + + ::col + +
    + + real(kind=real_4), + + DIMENSION(:), POINTER + ::block -

    whether the data is transposed -whether the block exists in the matrix

    +
    - + logical, intent(out) :: found -

    whether the data is transposed -whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    + +
    + + +
    +
    + +
    +

    private subroutine dbcsr_get_block_notrans_p_z(matrix, row, col, block, found, row_size, col_size) +

    +
    + + + +

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
    TypeIntentOptional AttributesName
    + + type(dbcsr_type), + intent(in) + + ::matrix + +
    + + integer, + intent(in) + + ::row + +
    + + integer, + intent(in) + + ::col + +
    + + complex(kind=real_8), + + DIMENSION(:), POINTER + ::block + +
    + + logical, + intent(out) + + ::found + +
    + + integer, + intent(out),optional + + ::row_size + +
    + + integer, + intent(out),optional + + ::col_size + +
    + + +
    +
    + +
    +

    private subroutine dbcsr_get_block_notrans_p_c(matrix, row, col, block, found, row_size, col_size) +

    +
    + + + +

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
    TypeIntentOptional AttributesName
    + + type(dbcsr_type), + intent(in) + + ::matrix + +
    + + integer, + intent(in) + + ::row + +
    + + integer, + intent(in) + + ::col + +
    + + complex(kind=real_4), + + DIMENSION(:), POINTER + ::block + +
    + + logical, + intent(out) + + ::found + +
    + + integer, + intent(out),optional + + ::row_size + +
    + + integer, + intent(out),optional + + ::col_size + +
    + + +
    +
    + +
    +

    private subroutine dbcsr_get_2d_block_notrans_p_d(matrix, row, col, block, found, row_size, col_size) +

    +
    + + + +

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
    TypeIntentOptional AttributesName
    + + type(dbcsr_type), + intent(inout) + + ::matrix + +
    + + integer, + intent(in) + + ::row + +
    + + integer, + intent(in) + + ::col + +
    + + real(kind=real_8), + + DIMENSION(:, :), POINTER + ::block + +
    + + logical, + intent(out) + + ::found + +
    + + integer, + intent(out),optional + + ::row_size + +
    + + integer, + intent(out),optional + + ::col_size + +
    + + +
    +
    + +
    +

    private subroutine dbcsr_get_2d_block_notrans_p_s(matrix, row, col, block, found, row_size, col_size) +

    +
    + + + +

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
    TypeIntentOptional AttributesName
    + + type(dbcsr_type), + intent(inout) + + ::matrix + +
    + + integer, + intent(in) + + ::row + +
    + + integer, + intent(in) + + ::col + +
    + + real(kind=real_4), + + DIMENSION(:, :), POINTER + ::block + +
    + + logical, + intent(out) + + ::found + +
    + + integer, + intent(out),optional + + ::row_size + +
    + + integer, + intent(out),optional + + ::col_size + +
    + + +
    +
    + +
    +

    private subroutine dbcsr_get_2d_block_notrans_p_z(matrix, row, col, block, found, row_size, col_size) +

    +
    + + + +

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
    TypeIntentOptional AttributesName
    + + type(dbcsr_type), + intent(inout) + + ::matrix + +
    + + integer, + intent(in) + + ::row + +
    + + integer, + intent(in) + + ::col + +
    + + complex(kind=real_8), + + DIMENSION(:, :), POINTER + ::block + +
    + + logical, + intent(out) + + ::found + +
    + + integer, + intent(out),optional + + ::row_size + +
    + + integer, + intent(out),optional + + ::col_size + +
    + + +
    +
    + +
    +

    private subroutine dbcsr_get_2d_block_notrans_p_c(matrix, row, col, block, found, row_size, col_size) +

    +
    + + + +

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/develop/interface/dbcsr_get_block_p~2.html b/develop/interface/dbcsr_get_block_p~2.html index 60f7ae1f741..b861dc9f9fe 100644 --- a/develop/interface/dbcsr_get_block_p~2.html +++ b/develop/interface/dbcsr_get_block_p~2.html @@ -74,20 +74,20 @@

    dbcsr_get_block_p
  • 10 statements + title="

    0.0% of total for procedures.

    Including implementation: 368 statements, 0.6% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -139,14 +139,7 @@

    Module Procedures

    dbcsr_get_2d_block_p_s dbcsr_get_2d_block_p_z dbcsr_get_2d_block_p_c - dbcsr_get_block_notrans_p_d - dbcsr_get_block_notrans_p_s - dbcsr_get_block_notrans_p_z - dbcsr_get_block_notrans_p_c - dbcsr_get_2d_block_notrans_p_d - dbcsr_get_2d_block_notrans_p_s - dbcsr_get_2d_block_notrans_p_z - dbcsr_get_2d_block_notrans_p_c + dbcsr_get_block_p_area
    @@ -170,7 +163,7 @@

    Module Procedures

    - +

    Gets a 1-d block from a dbcsr matrix

    Arguments

    TypeIntentOptional AttributesName
    + + type(dbcsr_type), + intent(inout) + + ::matrix + +
    + + integer, + intent(in) + + ::row + +
    + + integer, + intent(in) + + ::col + +
    + + complex(kind=real_4), + + DIMENSION(:, :), POINTER + ::block + +
    + + logical, + intent(out) + + ::found + +
    + + integer, + intent(out),optional + + ::row_size + +
    + + integer, + intent(out),optional + + ::col_size +
    @@ -185,8 +178,8 @@

    Arguments

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    Arguments

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    Arguments

    @@ -285,12 +280,13 @@

    Arguments

    @@ -300,7 +296,8 @@

    Arguments

    @@ -315,7 +312,7 @@

    Arguments

    - +

    Gets a 1-d block from a dbcsr matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -195,12 +188,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_8), :: block - +

    the block to get (rank-1 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    @@ -330,8 +327,8 @@

    Arguments

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    Arguments

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    Arguments

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    @@ -430,12 +429,13 @@

    Arguments

    @@ -445,7 +445,8 @@

    Arguments

    @@ -460,7 +461,7 @@

    Arguments

    - +

    Gets a 1-d block from a dbcsr matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -340,12 +337,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_4), :: block - +

    the block to get (rank-1 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    @@ -475,8 +476,8 @@

    Arguments

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    Arguments

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    @@ -575,12 +578,13 @@

    Arguments

    @@ -590,7 +594,8 @@

    Arguments

    @@ -605,7 +610,7 @@

    Arguments

    - +

    Gets a 1-d block from a dbcsr matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -485,12 +486,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_8), :: block - +

    the block to get (rank-1 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    @@ -620,8 +625,8 @@

    Arguments

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    Arguments

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    @@ -720,12 +727,13 @@

    Arguments

    @@ -735,7 +743,8 @@

    Arguments

    @@ -750,7 +759,7 @@

    Arguments

    - +

    Gets a 2-d block from a dbcsr matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -630,12 +635,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_4), :: block - +

    the block to get (rank-1 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    @@ -765,8 +774,8 @@

    Arguments

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    Arguments

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    @@ -880,7 +892,8 @@

    Arguments

    @@ -895,7 +908,7 @@

    Arguments

    - +

    Gets a 2-d block from a dbcsr matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -775,12 +784,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_8), :: block - +

    the block to get (rank-2 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    @@ -910,8 +923,8 @@

    Arguments

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    @@ -1025,7 +1041,8 @@

    Arguments

    @@ -1040,7 +1057,7 @@

    Arguments

    - +

    Gets a 2-d block from a dbcsr matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -920,12 +933,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_4), :: block - +

    the block to get (rank-2 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    @@ -1055,8 +1072,8 @@

    Arguments

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    Arguments

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    Arguments

    @@ -1155,12 +1174,13 @@

    Arguments

    @@ -1170,7 +1190,8 @@

    Arguments

    @@ -1185,7 +1206,7 @@

    Arguments

    - +

    Gets a 2-d block from a dbcsr matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -1065,12 +1082,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_8), :: block - +

    the block to get (rank-2 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    @@ -1200,8 +1221,8 @@

    Arguments

    @@ -1225,12 +1246,13 @@

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    @@ -1300,12 +1323,13 @@

    Arguments

    @@ -1315,7 +1339,8 @@

    Arguments

    @@ -1326,11 +1351,11 @@

    Arguments

    -

    private subroutine dbcsr_get_block_notrans_p_d(matrix, row, col, block, found, row_size, col_size) +

    private subroutine dbcsr_get_block_p_area(matrix, row, col, block, tr, found, row_size, col_size)

    - +

    Gets a block from a dbcsr matrix as a data area

    Read more…

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -1210,12 +1231,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_4), :: block - +

    the block to get (rank-2 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    @@ -1345,8 +1370,8 @@

    Arguments

    @@ -1370,12 +1395,13 @@

    Arguments

    @@ -1385,27 +1411,28 @@

    Arguments

    - + @@ -1413,129 +1440,15 @@

    Arguments

    - - - - - - - - - - - - - - - - - - - - -
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -1355,12 +1380,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - - real(kind=real_8), + + type(dbcsr_data_obj), intent(inout) - DIMENSION(:), POINTER + :: block - +

    the block to get
    - + logical, intent(out) ::found - -
    - - integer, - intent(out),optional - - ::row_size - -
    - - integer, - intent(out),optional - - ::col_size - -
    - - -
    -
    - -
    -

    private subroutine dbcsr_get_block_notrans_p_s(matrix, row, col, block, found, row_size, col_size) -

    -
    - - - -

    Arguments

    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + @@ -1545,12 +1458,13 @@

    Arguments

    @@ -1560,12 +1474,13 @@

    Arguments

    @@ -1575,787 +1490,8 @@

    Arguments

    - - -
    TypeIntentOptional AttributesName
    - - type(dbcsr_type), - intent(in) - - ::matrix - -
    - - integer, - intent(in) - - ::row - -
    - - integer, - intent(in) - - ::col - -
    - - real(kind=real_4), - - DIMENSION(:), POINTER - ::blocktr - +

    whether the data is transposed +whether the block exists in the matrix
    - + logical, intent(out) :: found - +

    whether the data is transposed +whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - -
    - - -
    -
    - -
    -

    private subroutine dbcsr_get_block_notrans_p_z(matrix, row, col, block, found, row_size, col_size) -

    -
    - - - -

    Arguments

    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    TypeIntentOptional AttributesName
    - - type(dbcsr_type), - intent(in) - - ::matrix - -
    - - integer, - intent(in) - - ::row - -
    - - integer, - intent(in) - - ::col - -
    - - complex(kind=real_8), - - DIMENSION(:), POINTER - ::block - -
    - - logical, - intent(out) - - ::found - -
    - - integer, - intent(out),optional - - ::row_size - -
    - - integer, - intent(out),optional - - ::col_size - -
    - - -
    -
    - -
    -

    private subroutine dbcsr_get_block_notrans_p_c(matrix, row, col, block, found, row_size, col_size) -

    -
    - - - -

    Arguments

    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    TypeIntentOptional AttributesName
    - - type(dbcsr_type), - intent(in) - - ::matrix - -
    - - integer, - intent(in) - - ::row - -
    - - integer, - intent(in) - - ::col - -
    - - complex(kind=real_4), - - DIMENSION(:), POINTER - ::block - -
    - - logical, - intent(out) - - ::found - -
    - - integer, - intent(out),optional - - ::row_size - -
    - - integer, - intent(out),optional - - ::col_size - -
    - - -
    -
    - -
    -

    private subroutine dbcsr_get_2d_block_notrans_p_d(matrix, row, col, block, found, row_size, col_size) -

    -
    - - - -

    Arguments

    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    TypeIntentOptional AttributesName
    - - type(dbcsr_type), - intent(inout) - - ::matrix - -
    - - integer, - intent(in) - - ::row - -
    - - integer, - intent(in) - - ::col - -
    - - real(kind=real_8), - - DIMENSION(:, :), POINTER - ::block - -
    - - logical, - intent(out) - - ::found - -
    - - integer, - intent(out),optional - - ::row_size - -
    - - integer, - intent(out),optional - - ::col_size - -
    - - -
    -
    - -
    -

    private subroutine dbcsr_get_2d_block_notrans_p_s(matrix, row, col, block, found, row_size, col_size) -

    -
    - - - -

    Arguments

    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    TypeIntentOptional AttributesName
    - - type(dbcsr_type), - intent(inout) - - ::matrix - -
    - - integer, - intent(in) - - ::row - -
    - - integer, - intent(in) - - ::col - -
    - - real(kind=real_4), - - DIMENSION(:, :), POINTER - ::block - -
    - - logical, - intent(out) - - ::found - -
    - - integer, - intent(out),optional - - ::row_size - -
    - - integer, - intent(out),optional - - ::col_size - -
    - - -
    -
    - -
    -

    private subroutine dbcsr_get_2d_block_notrans_p_z(matrix, row, col, block, found, row_size, col_size) -

    -
    - - - -

    Arguments

    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    TypeIntentOptional AttributesName
    - - type(dbcsr_type), - intent(inout) - - ::matrix - -
    - - integer, - intent(in) - - ::row - -
    - - integer, - intent(in) - - ::col - -
    - - complex(kind=real_8), - - DIMENSION(:, :), POINTER - ::block - -
    - - logical, - intent(out) - - ::found - -
    - - integer, - intent(out),optional - - ::row_size - -
    - - integer, - intent(out),optional - - ::col_size - -
    - - -
    -
    - -
    -

    private subroutine dbcsr_get_2d_block_notrans_p_c(matrix, row, col, block, found, row_size, col_size) -

    -
    - - - -

    Arguments

    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - diff --git a/develop/interface/dbcsr_get_data.html b/develop/interface/dbcsr_get_data.html index f11176d8d86..09762a5f302 100644 --- a/develop/interface/dbcsr_get_data.html +++ b/develop/interface/dbcsr_get_data.html @@ -192,7 +192,7 @@

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    diff --git a/develop/interface/dbcsr_get_data_cptr.html b/develop/interface/dbcsr_get_data_cptr.html index 65c3ab9340c..2443da1a1ea 100644 --- a/develop/interface/dbcsr_get_data_cptr.html +++ b/develop/interface/dbcsr_get_data_cptr.html @@ -203,7 +203,7 @@

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    diff --git a/develop/interface/dbcsr_get_data_p.html b/develop/interface/dbcsr_get_data_p.html index 5c3e83bbf3e..9c5b05d13e6 100644 --- a/develop/interface/dbcsr_get_data_p.html +++ b/develop/interface/dbcsr_get_data_p.html @@ -203,7 +203,7 @@

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    diff --git a/develop/interface/dbcsr_get_data_p~2.html b/develop/interface/dbcsr_get_data_p~2.html index 81038e7b777..e8ec862c9a8 100644 --- a/develop/interface/dbcsr_get_data_p~2.html +++ b/develop/interface/dbcsr_get_data_p~2.html @@ -173,7 +173,7 @@

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    diff --git a/develop/interface/dbcsr_get_diag.html b/develop/interface/dbcsr_get_diag.html index fd5675d9241..dd6b7232525 100644 --- a/develop/interface/dbcsr_get_diag.html +++ b/develop/interface/dbcsr_get_diag.html @@ -74,20 +74,20 @@

    dbcsr_get_diag
  • 3 statements + title="

    0.0% of total for procedures.

    Including implementation: 24 statements, 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -131,8 +131,8 @@

    Module Procedures

    - dbcsr_get_diag_s dbcsr_get_diag_d + dbcsr_get_diag_s dbcsr_get_diag_c dbcsr_get_diag_z
    @@ -154,7 +154,7 @@

    public interface dbcsr_get_diag

    Module Procedures

    -

    private subroutine dbcsr_get_diag_s(matrix, diag) +

    private subroutine dbcsr_get_diag_d(matrix, diag)

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    diff --git a/develop/interface/dbcsr_mp_new.html b/develop/interface/dbcsr_mp_new.html index 1557427af12..0640e20de59 100644 --- a/develop/interface/dbcsr_mp_new.html +++ b/develop/interface/dbcsr_mp_new.html @@ -171,7 +171,7 @@

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    diff --git a/develop/interface/dbcsr_multiply.html b/develop/interface/dbcsr_multiply.html index 06a64c783d4..f43505d43cc 100644 --- a/develop/interface/dbcsr_multiply.html +++ b/develop/interface/dbcsr_multiply.html @@ -74,20 +74,20 @@

    dbcsr_multiply
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 51 statements, 0.1% of total for procedures.">3 statements
  • - Source File + Source File
    • @@ -131,9 +131,8 @@

    Module Procedures

    - dbcsr_multiply_generic - dbcsr_multiply_s dbcsr_multiply_d + dbcsr_multiply_s dbcsr_multiply_c dbcsr_multiply_z
    @@ -155,311 +154,7 @@

    public interface dbcsr_multiply

    Module Procedures

    -

    public subroutine dbcsr_multiply_generic(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) -

    -
    - -

    Performs a multiplication of two dbcsr_type matrices, -as C := alpha * op( A ) * op( B ) + beta * C.

    Read more… - -

    Arguments

    -

    TypeIntentOptional AttributesName
    - - type(dbcsr_type), - intent(inout) - - ::matrix - -
    - - integer, - intent(in) - - ::row - -
    - - integer, - intent(in) - - ::col - -
    - - complex(kind=real_4), - - DIMENSION(:, :), POINTER - ::block - -
    - - logical, - intent(out) - - ::found - -
    - - integer, - intent(out),optional - - ::row_size - -
    - - integer, - intent(out),optional - - ::col_size - +

    logical row size of block +logical column size of block
    - + real(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -188,8 +188,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(out), @@ -209,7 +209,7 @@

    Arguments

    -

    private subroutine dbcsr_get_diag_d(matrix, diag) +

    private subroutine dbcsr_get_diag_s(matrix, diag)

    @@ -228,8 +228,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -243,8 +243,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(out), @@ -283,8 +283,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -338,8 +338,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) diff --git a/develop/interface/dbcsr_get_diag~2.html b/develop/interface/dbcsr_get_diag~2.html index 02ae37df82a..d1d8a784ca9 100644 --- a/develop/interface/dbcsr_get_diag~2.html +++ b/develop/interface/dbcsr_get_diag~2.html @@ -74,20 +74,20 @@

    dbcsr_get_diag
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 103 statements, 0.2% of total for procedures.">3 statements
  • - Source File + Source File
    • @@ -131,8 +131,8 @@

    Module Procedures

    - dbcsr_get_diag_d dbcsr_get_diag_s + dbcsr_get_diag_d dbcsr_get_diag_c dbcsr_get_diag_z
    @@ -154,7 +154,7 @@

    public interface dbcsr_get_diag

    Module Procedures

    -

    private subroutine dbcsr_get_diag_d(matrix, diag) +

    private subroutine dbcsr_get_diag_s(matrix, diag)

    @@ -173,8 +173,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -188,8 +188,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(out), @@ -209,7 +209,7 @@

    Arguments

    -

    private subroutine dbcsr_get_diag_s(matrix, diag) +

    private subroutine dbcsr_get_diag_d(matrix, diag)

    @@ -228,8 +228,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -243,8 +243,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(out), @@ -283,8 +283,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -338,8 +338,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) diff --git a/develop/interface/dbcsr_get_wms_data_p.html b/develop/interface/dbcsr_get_wms_data_p.html index 2bb0623af5c..891e31279fe 100644 --- a/develop/interface/dbcsr_get_wms_data_p.html +++ b/develop/interface/dbcsr_get_wms_data_p.html @@ -173,7 +173,7 @@

    Arguments
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_mp_obj), intent(in)
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_mp_obj), intent(in)
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_mp_obj), intent(in)
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_mp_obj), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_mp_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + integer, intent(out)
    - + logical, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + type(dbcsr_data_obj), intent(inout)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + integer, intent(out)
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_8),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_4),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_4),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_8),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_8),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_4),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_4),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_8),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_mp_obj), intent(out)
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_mp_obj), intent(out)
    - + integer,
    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    TypeIntentOptional AttributesName
    - - character(len=1), - intent(in) - - ::transa -

    specifies the form of op( A ) to be used in the matrix multiplication transa = 'N' or 'n', op( A ) = A. transa = 'T' or -'t', op( A ) = transpose(A). transa = 'C' or 'c', op( A ) = transpose(conjg(A)). -specifies the form of op( B ) to be used in the matrix multiplication transb = 'N' or 'n', op( B ) = B. transb = 'T' or -'t', op( B ) = transpose(B). transb = 'C' or 'c', op( B ) = transpose(conjg(B)).

    -
    - - character(len=1), - intent(in) - - ::transb -

    specifies the form of op( A ) to be used in the matrix multiplication transa = 'N' or 'n', op( A ) = A. transa = 'T' or -'t', op( A ) = transpose(A). transa = 'C' or 'c', op( A ) = transpose(conjg(A)). -specifies the form of op( B ) to be used in the matrix multiplication transb = 'N' or 'n', op( B ) = B. transb = 'T' or -'t', op( B ) = transpose(B). transb = 'C' or 'c', op( B ) = transpose(conjg(B)).

    -
    - - type(dbcsr_scalar_type), - intent(in) - - ::alpha -

    scaling of product

    -
    - - type(dbcsr_type), - intent(in) - - ::matrix_a -

    left BCSR matrix -right BCSR matrix

    -
    - - type(dbcsr_type), - intent(in) - - ::matrix_b -

    left BCSR matrix -right BCSR matrix

    -
    - - type(dbcsr_scalar_type), - intent(in) - - ::beta -

    scaling of existing data

    -
    - - type(dbcsr_type), - intent(inout) - - ::matrix_c -

    resulting BCSR product matrix.

    -
    - - integer, - intent(in),optional - - ::first_row -

    first full row of limiting submatrix -last full row of limiting submatrix -first full column of limiting submatrix -last full column of limiting submatrix -first full column of limiting inner product -last full column of limiting inner product

    -
    - - integer, - intent(in),optional - - ::last_row -

    first full row of limiting submatrix -last full row of limiting submatrix -first full column of limiting submatrix -last full column of limiting submatrix -first full column of limiting inner product -last full column of limiting inner product

    -
    - - integer, - intent(in),optional - - ::first_column -

    first full row of limiting submatrix -last full row of limiting submatrix -first full column of limiting submatrix -last full column of limiting submatrix -first full column of limiting inner product -last full column of limiting inner product

    -
    - - integer, - intent(in),optional - - ::last_column -

    first full row of limiting submatrix -last full row of limiting submatrix -first full column of limiting submatrix -last full column of limiting submatrix -first full column of limiting inner product -last full column of limiting inner product

    -
    - - integer, - intent(in),optional - - ::first_k -

    first full row of limiting submatrix -last full row of limiting submatrix -first full column of limiting submatrix -last full column of limiting submatrix -first full column of limiting inner product -last full column of limiting inner product

    -
    - - integer, - intent(in),optional - - ::last_k -

    first full row of limiting submatrix -last full row of limiting submatrix -first full column of limiting submatrix -last full column of limiting submatrix -first full column of limiting inner product -last full column of limiting inner product

    -
    - - logical, - intent(in),optional - - ::retain_sparsity -

    enforce the sparsity pattern of the existing product matrix; default is no

    -
    - - real(kind=real_8), - intent(in),optional - - ::filter_eps -

    Filtering of the matrix

    -
    - - integer(kind=int_8), - intent(out),optional - - ::flop -

    effective flop

    -
    - - -
    -
    - -
    -

    private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -478,7 +173,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -493,7 +188,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -508,8 +203,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in) @@ -523,8 +218,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -538,8 +233,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -553,8 +248,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in) @@ -568,8 +263,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -598,7 +293,7 @@

    Arguments

    - + integer, intent(in), @@ -628,7 +323,7 @@

    Arguments

    - + integer, intent(in), @@ -673,7 +368,7 @@

    Arguments

    - + logical, intent(in), @@ -703,7 +398,7 @@

    Arguments

    - + integer(kind=int_8), intent(out), @@ -724,7 +419,7 @@

    Arguments

    -

    private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -743,7 +438,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -758,7 +453,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -773,8 +468,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in) @@ -788,8 +483,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -803,8 +498,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -818,8 +513,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in) @@ -833,8 +528,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -863,7 +558,7 @@

    Arguments

    - + integer, intent(in), @@ -893,7 +588,7 @@

    Arguments

    - + integer, intent(in), @@ -938,7 +633,7 @@

    Arguments

    - + logical, intent(in), @@ -968,7 +663,7 @@

    Arguments

    - + integer(kind=int_8), intent(out), @@ -1008,7 +703,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -1023,7 +718,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -1038,7 +733,7 @@

    Arguments

    - + complex(kind=real_4), intent(in) @@ -1053,8 +748,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -1068,8 +763,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -1083,7 +778,7 @@

    Arguments

    - + complex(kind=real_4), intent(in) @@ -1098,8 +793,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -1113,7 +808,7 @@

    Arguments

    - + integer, intent(in), @@ -1143,7 +838,7 @@

    Arguments

    - + integer, intent(in), @@ -1173,7 +868,7 @@

    Arguments

    - + integer, intent(in), @@ -1188,7 +883,7 @@

    Arguments

    - + integer, intent(in), @@ -1203,7 +898,7 @@

    Arguments

    - + logical, intent(in), @@ -1218,7 +913,7 @@

    Arguments

    - + real(kind=real_8), intent(in), @@ -1233,7 +928,7 @@

    Arguments

    - + integer(kind=int_8), intent(out), @@ -1273,7 +968,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -1288,7 +983,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -1303,7 +998,7 @@

    Arguments

    - + complex(kind=real_8), intent(in) @@ -1318,8 +1013,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -1333,8 +1028,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -1348,7 +1043,7 @@

    Arguments

    - + complex(kind=real_8), intent(in) @@ -1363,8 +1058,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -1378,7 +1073,7 @@

    Arguments

    - + integer, intent(in), @@ -1393,7 +1088,7 @@

    Arguments

    - + integer, intent(in), @@ -1408,7 +1103,7 @@

    Arguments

    - + integer, intent(in), @@ -1423,7 +1118,7 @@

    Arguments

    - + integer, intent(in), @@ -1438,7 +1133,7 @@

    Arguments

    - + integer, intent(in), @@ -1453,7 +1148,7 @@

    Arguments

    - + integer, intent(in), @@ -1468,7 +1163,7 @@

    Arguments

    - + logical, intent(in), @@ -1483,7 +1178,7 @@

    Arguments

    - + real(kind=real_8), intent(in), @@ -1498,7 +1193,7 @@

    Arguments

    - + integer(kind=int_8), intent(out), diff --git a/develop/interface/dbcsr_multiply~2.html b/develop/interface/dbcsr_multiply~2.html index f68651fbc5d..dd5b474a9a4 100644 --- a/develop/interface/dbcsr_multiply~2.html +++ b/develop/interface/dbcsr_multiply~2.html @@ -74,20 +74,20 @@

    dbcsr_multiply
  • 3 statements + title="

    0.0% of total for procedures.

    Including implementation: 430 statements, 0.7% of total for procedures.">4 statements
  • - Source File + Source File

    • @@ -131,8 +131,9 @@

    Module Procedures

    - dbcsr_multiply_d + dbcsr_multiply_generic dbcsr_multiply_s + dbcsr_multiply_d dbcsr_multiply_c dbcsr_multiply_z
    @@ -154,7 +155,311 @@

    public interface dbcsr_multiply

    Module Procedures

    -

    private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    public subroutine dbcsr_multiply_generic(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    +
    + +

    Performs a multiplication of two dbcsr_type matrices, +as C := alpha * op( A ) * op( B ) + beta * C.

    Read more… + +

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
    TypeIntentOptional AttributesName
    + + character(len=1), + intent(in) + + ::transa +

    specifies the form of op( A ) to be used in the matrix multiplication transa = 'N' or 'n', op( A ) = A. transa = 'T' or +'t', op( A ) = transpose(A). transa = 'C' or 'c', op( A ) = transpose(conjg(A)). +specifies the form of op( B ) to be used in the matrix multiplication transb = 'N' or 'n', op( B ) = B. transb = 'T' or +'t', op( B ) = transpose(B). transb = 'C' or 'c', op( B ) = transpose(conjg(B)).

    +
    + + character(len=1), + intent(in) + + ::transb +

    specifies the form of op( A ) to be used in the matrix multiplication transa = 'N' or 'n', op( A ) = A. transa = 'T' or +'t', op( A ) = transpose(A). transa = 'C' or 'c', op( A ) = transpose(conjg(A)). +specifies the form of op( B ) to be used in the matrix multiplication transb = 'N' or 'n', op( B ) = B. transb = 'T' or +'t', op( B ) = transpose(B). transb = 'C' or 'c', op( B ) = transpose(conjg(B)).

    +
    + + type(dbcsr_scalar_type), + intent(in) + + ::alpha +

    scaling of product

    +
    + + type(dbcsr_type), + intent(in) + + ::matrix_a +

    left BCSR matrix +right BCSR matrix

    +
    + + type(dbcsr_type), + intent(in) + + ::matrix_b +

    left BCSR matrix +right BCSR matrix

    +
    + + type(dbcsr_scalar_type), + intent(in) + + ::beta +

    scaling of existing data

    +
    + + type(dbcsr_type), + intent(inout) + + ::matrix_c +

    resulting BCSR product matrix.

    +
    + + integer, + intent(in),optional + + ::first_row +

    first full row of limiting submatrix +last full row of limiting submatrix +first full column of limiting submatrix +last full column of limiting submatrix +first full column of limiting inner product +last full column of limiting inner product

    +
    + + integer, + intent(in),optional + + ::last_row +

    first full row of limiting submatrix +last full row of limiting submatrix +first full column of limiting submatrix +last full column of limiting submatrix +first full column of limiting inner product +last full column of limiting inner product

    +
    + + integer, + intent(in),optional + + ::first_column +

    first full row of limiting submatrix +last full row of limiting submatrix +first full column of limiting submatrix +last full column of limiting submatrix +first full column of limiting inner product +last full column of limiting inner product

    +
    + + integer, + intent(in),optional + + ::last_column +

    first full row of limiting submatrix +last full row of limiting submatrix +first full column of limiting submatrix +last full column of limiting submatrix +first full column of limiting inner product +last full column of limiting inner product

    +
    + + integer, + intent(in),optional + + ::first_k +

    first full row of limiting submatrix +last full row of limiting submatrix +first full column of limiting submatrix +last full column of limiting submatrix +first full column of limiting inner product +last full column of limiting inner product

    +
    + + integer, + intent(in),optional + + ::last_k +

    first full row of limiting submatrix +last full row of limiting submatrix +first full column of limiting submatrix +last full column of limiting submatrix +first full column of limiting inner product +last full column of limiting inner product

    +
    + + logical, + intent(in),optional + + ::retain_sparsity +

    enforce the sparsity pattern of the existing product matrix; default is no

    +
    + + real(kind=real_8), + intent(in),optional + + ::filter_eps +

    Filtering of the matrix

    +
    + + integer(kind=int_8), + intent(out),optional + + ::flop +

    effective flop

    +
    + + +
    +

    + +
    +

    private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -173,7 +478,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -188,7 +493,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -203,8 +508,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in) @@ -218,8 +523,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -233,8 +538,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -248,8 +553,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in) @@ -263,8 +568,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -278,7 +583,7 @@

    Arguments

    - + integer, intent(in), @@ -293,7 +598,7 @@

    Arguments

    - + integer, intent(in), @@ -308,7 +613,7 @@

    Arguments

    - + integer, intent(in), @@ -323,7 +628,7 @@

    Arguments

    - + integer, intent(in), @@ -338,7 +643,7 @@

    Arguments

    - + integer, intent(in), @@ -353,7 +658,7 @@

    Arguments

    - + integer, intent(in), @@ -368,7 +673,7 @@

    Arguments

    - + logical, intent(in), @@ -383,7 +688,7 @@

    Arguments

    - + real(kind=real_8), intent(in), @@ -398,7 +703,7 @@

    Arguments

    - + integer(kind=int_8), intent(out), @@ -419,7 +724,7 @@

    Arguments

    -

    private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -438,7 +743,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -453,7 +758,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -468,8 +773,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in) @@ -483,8 +788,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -498,8 +803,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -513,8 +818,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in) @@ -528,8 +833,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -543,7 +848,7 @@

    Arguments

    - + integer, intent(in), @@ -558,7 +863,7 @@

    Arguments

    - + integer, intent(in), @@ -573,7 +878,7 @@

    Arguments

    - + integer, intent(in), @@ -588,7 +893,7 @@

    Arguments

    - + integer, intent(in), @@ -603,7 +908,7 @@

    Arguments

    - + integer, intent(in), @@ -618,7 +923,7 @@

    Arguments

    - + integer, intent(in), @@ -633,7 +938,7 @@

    Arguments

    - + logical, intent(in), @@ -648,7 +953,7 @@

    Arguments

    - + real(kind=real_8), intent(in), @@ -663,7 +968,7 @@

    Arguments

    - + integer(kind=int_8), intent(out), @@ -703,7 +1008,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -718,7 +1023,7 @@

    Arguments

    - + character(len=1), intent(in) @@ -748,8 +1053,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -763,8 +1068,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -778,7 +1083,7 @@

    Arguments

    - + complex(kind=real_4), intent(in) @@ -793,8 +1098,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -808,7 +1113,7 @@

    Arguments

    - + integer, intent(in), @@ -823,7 +1128,7 @@

    Arguments

    - + integer, intent(in), @@ -838,7 +1143,7 @@

    Arguments

    - + integer, intent(in), @@ -853,7 +1158,7 @@

    Arguments

    - + integer, intent(in), @@ -868,7 +1173,7 @@

    Arguments

    - + integer, intent(in), @@ -883,7 +1188,7 @@

    Arguments

    - + integer, intent(in), @@ -898,7 +1203,7 @@

    Arguments

    - + logical, intent(in), @@ -913,7 +1218,7 @@

    Arguments

    - + real(kind=real_8), intent(in), @@ -928,7 +1233,7 @@

    Arguments

    - + integer(kind=int_8), intent(out), @@ -998,7 +1303,7 @@

    Arguments

    - + complex(kind=real_8), intent(in) @@ -1013,8 +1318,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -1028,8 +1333,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -1059,7 +1364,7 @@

    Arguments

    - type(dbcsr_type), + type(dbcsr_type), intent(inout) @@ -1088,7 +1393,7 @@

    Arguments

    - + integer, intent(in), @@ -1118,7 +1423,7 @@

    Arguments

    - + integer, intent(in), @@ -1163,7 +1468,7 @@

    Arguments

    - + logical, intent(in), diff --git a/develop/interface/dbcsr_norm.html b/develop/interface/dbcsr_norm.html index 245dd55f9ba..8f0fe34a5c1 100644 --- a/develop/interface/dbcsr_norm.html +++ b/develop/interface/dbcsr_norm.html @@ -152,7 +152,7 @@

    public interface dbcsr_norm

    Module Procedures

    -

    private subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar) +

    private subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar)

    @@ -171,7 +171,7 @@

    Arguments

    - + type(dbcsr_type), intent(inout), @@ -186,7 +186,7 @@

    Arguments

    - + integer, intent(in) @@ -201,7 +201,7 @@

    Arguments

    - + real(kind=dp), intent(out) @@ -222,7 +222,7 @@

    Arguments

    -

    private subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector) +

    private subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)

    @@ -241,7 +241,7 @@

    Arguments

    - + type(dbcsr_type), intent(inout), @@ -256,7 +256,7 @@

    Arguments

    - + integer, intent(in) @@ -271,7 +271,7 @@

    Arguments

    - + real(kind=dp), intent(out), diff --git a/develop/interface/dbcsr_printmat.html b/develop/interface/dbcsr_printmat.html index 2fa8e33a01e..e10ae4907ab 100644 --- a/develop/interface/dbcsr_printmat.html +++ b/develop/interface/dbcsr_printmat.html @@ -173,7 +173,7 @@

    Arguments

    - + real(kind=real_4), intent(in), @@ -188,7 +188,7 @@

    Arguments

    - + integer, intent(in) @@ -204,7 +204,7 @@

    Arguments

    - + integer, intent(in) @@ -251,7 +251,7 @@

    Arguments

    - + logical, intent(in), @@ -291,7 +291,7 @@

    Arguments

    - + real(kind=real_8), intent(in), @@ -306,7 +306,7 @@

    Arguments

    - + integer, intent(in) @@ -321,7 +321,7 @@

    Arguments

    - + integer, intent(in) @@ -366,7 +366,7 @@

    Arguments

    - + logical, intent(in), @@ -406,7 +406,7 @@

    Arguments

    - + complex(kind=real_4), intent(in), @@ -421,7 +421,7 @@

    Arguments

    - + integer, intent(in) @@ -436,7 +436,7 @@

    Arguments

    - + integer, intent(in) @@ -481,7 +481,7 @@

    Arguments

    - + logical, intent(in), @@ -521,7 +521,7 @@

    Arguments

    - + complex(kind=real_8), intent(in), @@ -536,7 +536,7 @@

    Arguments

    - + integer, intent(in) @@ -551,7 +551,7 @@

    Arguments

    - + integer, intent(in) @@ -596,7 +596,7 @@

    Arguments

    - + logical, intent(in), diff --git a/develop/interface/dbcsr_put_block.html b/develop/interface/dbcsr_put_block.html index 0eff8815f2d..ed166e1a388 100644 --- a/develop/interface/dbcsr_put_block.html +++ b/develop/interface/dbcsr_put_block.html @@ -74,20 +74,20 @@

    dbcsr_put_block
  • 5 statements + title="

    0.0% of total for procedures.

    Including implementation: 68 statements, 0.1% of total for procedures.">4 statements
  • - Source File + Source File

    • @@ -131,7 +131,6 @@

    Module Procedures

    - dbcsr_put_block_area dbcsr_put_block_d dbcsr_put_block_s dbcsr_put_block_z @@ -159,14 +158,11 @@

    public interface dbcsr_put_block

    Module Procedures

    -

    private subroutine dbcsr_put_block_area(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_d(matrix, row, col, block, summation, scale)

    -

    We allow : -matrix(dp) [+]= [scale(dp)] * block(dp) -matrix(dp) [+]= [scale(dp)] * block(sp) -matrix(sp) [+]= [scale(dp)] * block(sp)

    +

    Arguments

    @@ -181,8 +177,8 @@

    Arguments

    @@ -211,7 +207,7 @@

    Arguments

    @@ -226,216 +222,22 @@

    Arguments

    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -196,7 +192,7 @@

    Arguments

    - + integer, intent(in)
    - + integer, intent(in)
    - - type(dbcsr_data_obj) - - - ::block - -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col - -
    - - logical, - intent(in),optional - - ::transposed - -
    - - logical, - intent(in),optional - - ::summation - -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop - -
    - - type(dbcsr_scalar_type), - intent(in),optional - - ::scale - -
    - - -
    -

    - -
    -

    private subroutine dbcsr_put_block_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) -

    -
    - -

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more… - -

    Arguments

    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - @@ -445,28 +247,12 @@

    Arguments

    - - - - - - - - @@ -476,7 +262,7 @@

    Arguments

    @@ -487,12 +273,11 @@

    Arguments

    -

    private subroutine dbcsr_put_block_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_s(matrix, row, col, block, summation, scale)

    -

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more… +

    Arguments

    TypeIntentOptional AttributesName
    - - type(dbcsr_type), - intent(inout) - - ::matrix -

    DBCSR matrix

    -
    - - integer, - intent(in) - - ::row -

    the logical row -the logical column

    -
    - - integer, - intent(in) - - ::col -

    the logical row -the logical column

    -
    - + real(kind=real_8), intent(in), - DIMENSION(:), CONTIGUOUS + DIMENSION(:) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + real(kind=real_8), intent(in), :: scale -

    scale the OBblock being added

    +
    @@ -507,8 +292,8 @@

    Arguments

    @@ -532,13 +317,12 @@

    Arguments

    @@ -548,59 +332,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -610,28 +362,12 @@

    Arguments

    - - - - - - - - @@ -641,7 +377,7 @@

    Arguments

    @@ -652,12 +388,11 @@

    Arguments

    -

    private subroutine dbcsr_put_block_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_z(matrix, row, col, block, summation, scale)

    -

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more… +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -517,12 +302,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the logical row -the logical column

    +
    - + integer, intent(in) :: col -

    the logical row -the logical column

    +
    - + real(kind=real_4), intent(in), - DIMENSION(:), CONTIGUOUS + DIMENSION(:) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + real(kind=real_4), intent(in), :: scale -

    scale the OBblock being added

    +
    @@ -672,8 +407,8 @@

    Arguments

    @@ -697,13 +432,12 @@

    Arguments

    @@ -713,59 +447,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -775,28 +477,12 @@

    Arguments

    - - - - - - - - @@ -806,7 +492,7 @@

    Arguments

    @@ -817,12 +503,11 @@

    Arguments

    -

    private subroutine dbcsr_put_block_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_c(matrix, row, col, block, summation, scale)

    -

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more… +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -682,12 +417,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the logical row -the logical column

    +
    - + integer, intent(in) :: col -

    the logical row -the logical column

    +
    - + complex(kind=real_8), intent(in), - DIMENSION(:), CONTIGUOUS + DIMENSION(:) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + complex(kind=real_8), intent(in), :: scale -

    scale the OBblock being added

    +
    @@ -837,8 +522,8 @@

    Arguments

    @@ -862,13 +547,12 @@

    Arguments

    @@ -878,59 +562,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -940,28 +592,12 @@

    Arguments

    - - - - - - - - @@ -971,7 +607,7 @@

    Arguments

    @@ -982,11 +618,11 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, summation, scale)

    -

    Put a 2-D block in a DBCSR matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -847,12 +532,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the logical row -the logical column

    +
    - + integer, intent(in) :: col -

    the logical row -the logical column

    +
    - + complex(kind=real_4), intent(in), - DIMENSION(:), CONTIGUOUS + DIMENSION(:) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + complex(kind=real_4), intent(in), :: scale -

    scale the OBblock being added

    +
    @@ -1001,8 +637,8 @@

    Arguments

    @@ -1026,13 +662,12 @@

    Arguments

    @@ -1042,59 +677,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -1104,28 +707,12 @@

    Arguments

    - - - - - - - - @@ -1135,7 +722,7 @@

    Arguments

    @@ -1146,11 +733,11 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, summation, scale)

    -

    Put a 2-D block in a DBCSR matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -1011,12 +647,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_8), intent(in), - DIMENSION(:, :), CONTIGUOUS, TARGET + DIMENSION(:, :) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + real(kind=real_8), intent(in), :: scale -

    scale the block being added

    +
    @@ -1165,8 +752,8 @@

    Arguments

    @@ -1190,13 +777,12 @@

    Arguments

    @@ -1206,59 +792,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -1268,28 +822,12 @@

    Arguments

    - - - - - - - - @@ -1299,7 +837,7 @@

    Arguments

    @@ -1310,11 +848,11 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, summation, scale)

    -

    Put a 2-D block in a DBCSR matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -1175,12 +762,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_4), intent(in), - DIMENSION(:, :), CONTIGUOUS, TARGET + DIMENSION(:, :) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + real(kind=real_4), intent(in), :: scale -

    scale the block being added

    +
    @@ -1329,8 +867,8 @@

    Arguments

    @@ -1354,13 +892,12 @@

    Arguments

    @@ -1370,59 +907,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -1432,28 +937,12 @@

    Arguments

    - - - - - - - - @@ -1463,7 +952,7 @@

    Arguments

    @@ -1474,11 +963,11 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, summation, scale)

    -

    Put a 2-D block in a DBCSR matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -1339,12 +877,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_8), intent(in), - DIMENSION(:, :), CONTIGUOUS, TARGET + DIMENSION(:, :) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + complex(kind=real_8), intent(in), :: scale -

    scale the block being added

    +
    @@ -1493,8 +982,8 @@

    Arguments

    @@ -1518,13 +1007,12 @@

    Arguments

    @@ -1534,59 +1022,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -1596,28 +1052,12 @@

    Arguments

    - - - - - - - - @@ -1627,7 +1067,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_put_block~2.html b/develop/interface/dbcsr_put_block~2.html index f13a0fbda17..fdca41663b8 100644 --- a/develop/interface/dbcsr_put_block~2.html +++ b/develop/interface/dbcsr_put_block~2.html @@ -74,20 +74,20 @@

    dbcsr_put_block
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 572 statements, 0.9% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -131,6 +131,7 @@

    Module Procedures

    + dbcsr_put_block_area dbcsr_put_block_d dbcsr_put_block_s dbcsr_put_block_z @@ -158,11 +159,14 @@

    public interface dbcsr_put_block

    Module Procedures

    -

    private subroutine dbcsr_put_block_d(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_area(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    - +

    We allow : +matrix(dp) [+]= [scale(dp)] * block(dp) +matrix(dp) [+]= [scale(dp)] * block(sp) +matrix(sp) [+]= [scale(dp)] * block(sp)

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -1503,12 +992,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_4), intent(in), - DIMENSION(:, :), CONTIGUOUS, TARGET + DIMENSION(:, :) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + complex(kind=real_4), intent(in), :: scale -

    scale the block being added

    +
    @@ -177,8 +181,8 @@

    Arguments

    @@ -207,7 +211,7 @@

    Arguments

    @@ -222,22 +226,216 @@

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -192,7 +196,7 @@

    Arguments

    - + integer, intent(in)
    - + integer, intent(in)
    - + + type(dbcsr_data_obj) + + + ::block + +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col + +
    + + logical, + intent(in),optional + + ::transposed + +
    + + logical, + intent(in),optional + + ::summation + +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop + +
    + + type(dbcsr_scalar_type), + intent(in),optional + + ::scale + +
    + + +
    +
    + +
    +

    private subroutine dbcsr_put_block_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    +
    + +

    Inserts a block in a dbcsr matrix. + If the block exists, the current data is overwritten.

    Read more… + +

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -247,12 +445,28 @@

    Arguments

    + + + + + + + + @@ -262,7 +476,7 @@

    Arguments

    @@ -273,11 +487,12 @@

    Arguments

    -

    private subroutine dbcsr_put_block_s(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    - +

    Inserts a block in a dbcsr matrix. + If the block exists, the current data is overwritten.

    Read more…

    Arguments

    TypeIntentOptional AttributesName
    + + type(dbcsr_type), + intent(inout) + + ::matrix +

    DBCSR matrix

    +
    + + integer, + intent(in) + + ::row +

    the logical row +the logical column

    +
    + + integer, + intent(in) + + ::col +

    the logical row +the logical column

    +
    + real(kind=real_8), intent(in), - DIMENSION(:) + DIMENSION(:), CONTIGUOUS :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + real(kind=real_8), intent(in), :: scale - +

    scale the OBblock being added
    @@ -292,8 +507,8 @@

    Arguments

    @@ -317,12 +532,13 @@

    Arguments

    @@ -332,27 +548,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -362,12 +610,28 @@

    Arguments

    + + + + + + + + @@ -377,7 +641,7 @@

    Arguments

    @@ -388,11 +652,12 @@

    Arguments

    -

    private subroutine dbcsr_put_block_z(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    - +

    Inserts a block in a dbcsr matrix. + If the block exists, the current data is overwritten.

    Read more…

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -302,12 +517,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the logical row +the logical column
    - + integer, intent(in) :: col - +

    the logical row +the logical column
    - + real(kind=real_4), intent(in), - DIMENSION(:) + DIMENSION(:), CONTIGUOUS :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + real(kind=real_4), intent(in), :: scale - +

    scale the OBblock being added
    @@ -407,8 +672,8 @@

    Arguments

    @@ -432,12 +697,13 @@

    Arguments

    @@ -447,27 +713,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -477,12 +775,28 @@

    Arguments

    + + + + + + + + @@ -492,7 +806,7 @@

    Arguments

    @@ -503,11 +817,12 @@

    Arguments

    -

    private subroutine dbcsr_put_block_c(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    - +

    Inserts a block in a dbcsr matrix. + If the block exists, the current data is overwritten.

    Read more…

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -417,12 +682,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the logical row +the logical column
    - + integer, intent(in) :: col - +

    the logical row +the logical column
    - + complex(kind=real_8), intent(in), - DIMENSION(:) + DIMENSION(:), CONTIGUOUS :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + complex(kind=real_8), intent(in), :: scale - +

    scale the OBblock being added
    @@ -522,8 +837,8 @@

    Arguments

    @@ -547,12 +862,13 @@

    Arguments

    @@ -562,27 +878,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -592,12 +940,28 @@

    Arguments

    + + + + + + + + @@ -607,7 +971,7 @@

    Arguments

    @@ -618,11 +982,11 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    - +

    Put a 2-D block in a DBCSR matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -532,12 +847,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the logical row +the logical column
    - + integer, intent(in) :: col - +

    the logical row +the logical column
    - + complex(kind=real_4), intent(in), - DIMENSION(:) + DIMENSION(:), CONTIGUOUS :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + complex(kind=real_4), intent(in), :: scale - +

    scale the OBblock being added
    @@ -637,8 +1001,8 @@

    Arguments

    @@ -662,12 +1026,13 @@

    Arguments

    @@ -677,27 +1042,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -707,12 +1104,28 @@

    Arguments

    + + + + + + + + @@ -722,7 +1135,7 @@

    Arguments

    @@ -733,11 +1146,11 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    - +

    Put a 2-D block in a DBCSR matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -647,12 +1011,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_8), intent(in), - DIMENSION(:, :) + DIMENSION(:, :), CONTIGUOUS, TARGET :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + real(kind=real_8), intent(in), :: scale - +

    scale the block being added
    @@ -752,8 +1165,8 @@

    Arguments

    @@ -777,12 +1190,13 @@

    Arguments

    @@ -792,27 +1206,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -822,12 +1268,28 @@

    Arguments

    + + + + + + + + @@ -837,7 +1299,7 @@

    Arguments

    @@ -848,11 +1310,11 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    - +

    Put a 2-D block in a DBCSR matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -762,12 +1175,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_4), intent(in), - DIMENSION(:, :) + DIMENSION(:, :), CONTIGUOUS, TARGET :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + real(kind=real_4), intent(in), :: scale - +

    scale the block being added
    @@ -867,8 +1329,8 @@

    Arguments

    @@ -892,12 +1354,13 @@

    Arguments

    @@ -907,27 +1370,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -937,12 +1432,28 @@

    Arguments

    + + + + + + + + @@ -952,7 +1463,7 @@

    Arguments

    @@ -963,11 +1474,11 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    - +

    Put a 2-D block in a DBCSR matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -877,12 +1339,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_8), intent(in), - DIMENSION(:, :) + DIMENSION(:, :), CONTIGUOUS, TARGET :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + complex(kind=real_8), intent(in), :: scale - +

    scale the block being added
    @@ -982,8 +1493,8 @@

    Arguments

    @@ -1007,12 +1518,13 @@

    Arguments

    @@ -1022,27 +1534,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -1052,12 +1596,28 @@

    Arguments

    + + + + + + + + @@ -1067,7 +1627,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_reserve_block2d.html b/develop/interface/dbcsr_reserve_block2d.html index e557b133cf6..f09f321c77a 100644 --- a/develop/interface/dbcsr_reserve_block2d.html +++ b/develop/interface/dbcsr_reserve_block2d.html @@ -74,20 +74,20 @@

    dbcsr_reserve_block2d
  • 3 statements + title="

    0.0% of total for procedures.

    Including implementation: 36 statements, 0.1% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -131,8 +131,8 @@

    Module Procedures

    - dbcsr_reserve_block2d_s dbcsr_reserve_block2d_d + dbcsr_reserve_block2d_s dbcsr_reserve_block2d_c dbcsr_reserve_block2d_z
    @@ -154,11 +154,11 @@

    public interface dbcsr_reserve_block2d

    Module Procedures

    -

    private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed)

    -

    Put a 2-D block in a DBCSR matrix using the btree

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -992,12 +1503,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_4), intent(in), - DIMENSION(:, :) + DIMENSION(:, :), CONTIGUOUS, TARGET :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + complex(kind=real_4), intent(in), :: scale - +

    scale the block being added
    @@ -173,8 +173,8 @@

    Arguments

    @@ -198,13 +198,12 @@

    Arguments

    @@ -214,14 +213,13 @@

    Arguments

    @@ -245,12 +243,12 @@

    Arguments

    @@ -260,7 +258,7 @@

    Arguments

    @@ -271,11 +269,11 @@

    Arguments

    -

    private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed)

    -

    Put a 2-D block in a DBCSR matrix using the btree

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -183,12 +183,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - - real(kind=real_4), + + real(kind=real_8), @@ -230,12 +228,12 @@

    Arguments

    		:: block -

    the block to reserve; added if not NULL

    +
    - + logical, intent(in), :: transposed -

    the block holds transposed data

    +
    - + logical, intent(out), :: existed -

    block already existed

    +
    @@ -290,8 +288,8 @@

    Arguments

    @@ -315,13 +313,12 @@

    Arguments

    @@ -331,14 +328,13 @@

    Arguments

    @@ -362,7 +358,7 @@

    Arguments

    @@ -377,7 +373,7 @@

    Arguments

    @@ -392,7 +388,7 @@

    Arguments

    -

    Put a 2-D block in a DBCSR matrix using the btree

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -300,12 +298,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - - real(kind=real_8), + + real(kind=real_4), @@ -347,12 +343,12 @@

    Arguments

    		:: block -

    the block to reserve; added if not NULL

    +
    - + logical, intent(in), :: transposed -

    the block holds transposed data

    +
    :: existed -

    block already existed

    +
    @@ -407,8 +403,8 @@

    Arguments

    @@ -432,13 +428,12 @@

    Arguments

    @@ -448,13 +443,12 @@

    Arguments

    @@ -464,12 +458,12 @@

    Arguments

    @@ -479,12 +473,12 @@

    Arguments

    @@ -494,7 +488,7 @@

    Arguments

    @@ -509,7 +503,7 @@

    Arguments

    -

    Put a 2-D block in a DBCSR matrix using the btree

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -417,12 +413,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_4), :: block -

    the block to reserve; added if not NULL

    +
    - + logical, intent(in), :: transposed -

    the block holds transposed data

    +
    - + logical, intent(out), :: existed -

    block already existed

    +
    @@ -524,8 +518,8 @@

    Arguments

    @@ -549,13 +543,12 @@

    Arguments

    @@ -565,13 +558,12 @@

    Arguments

    @@ -581,12 +573,12 @@

    Arguments

    @@ -596,12 +588,12 @@

    Arguments

    @@ -611,7 +603,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_reserve_block2d~2.html b/develop/interface/dbcsr_reserve_block2d~2.html index 07170d846b0..3918c24169e 100644 --- a/develop/interface/dbcsr_reserve_block2d~2.html +++ b/develop/interface/dbcsr_reserve_block2d~2.html @@ -74,20 +74,20 @@

    dbcsr_reserve_block2d
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 239 statements, 0.4% of total for procedures.">3 statements
  • - Source File + Source File
    • @@ -131,8 +131,8 @@

    Module Procedures

    - dbcsr_reserve_block2d_d dbcsr_reserve_block2d_s + dbcsr_reserve_block2d_d dbcsr_reserve_block2d_c dbcsr_reserve_block2d_z
    @@ -154,11 +154,11 @@

    public interface dbcsr_reserve_block2d

    Module Procedures

    -

    private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed)

    - +

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -534,12 +528,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_8), :: block -

    the block to reserve; added if not NULL

    +
    - + logical, intent(in), :: transposed -

    the block holds transposed data

    +
    - + logical, intent(out), :: existed -

    block already existed

    +
    @@ -173,8 +173,8 @@

    Arguments

    @@ -198,12 +198,13 @@

    Arguments

    @@ -213,13 +214,14 @@

    Arguments

    @@ -243,12 +245,12 @@

    Arguments

    @@ -258,7 +260,7 @@

    Arguments

    @@ -269,11 +271,11 @@

    Arguments

    -

    private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed)

    - +

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -183,12 +183,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - - real(kind=real_8), + + real(kind=real_4), @@ -228,12 +230,12 @@

    Arguments

    		:: block - +

    the block to reserve; added if not NULL
    - + logical, intent(in), :: transposed - +

    the block holds transposed data
    - + logical, intent(out), :: existed - +

    block already existed
    @@ -288,8 +290,8 @@

    Arguments

    @@ -313,12 +315,13 @@

    Arguments

    @@ -328,13 +331,14 @@

    Arguments

    @@ -358,12 +362,12 @@

    Arguments

    @@ -373,7 +377,7 @@

    Arguments

    @@ -388,7 +392,7 @@

    Arguments

    - +

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -298,12 +300,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - real(kind=real_4), + real(kind=real_8), @@ -343,12 +347,12 @@

    Arguments

    		:: block - +

    the block to reserve; added if not NULL
    - + logical, intent(in), :: transposed - +

    the block holds transposed data
    - + logical, intent(out), :: existed - +

    block already existed
    @@ -403,8 +407,8 @@

    Arguments

    @@ -428,12 +432,13 @@

    Arguments

    @@ -443,12 +448,13 @@

    Arguments

    @@ -458,12 +464,12 @@

    Arguments

    @@ -473,7 +479,7 @@

    Arguments

    @@ -488,7 +494,7 @@

    Arguments

    @@ -503,7 +509,7 @@

    Arguments

    - +

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -413,12 +417,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_4), :: block - +

    the block to reserve; added if not NULL
    - + logical, intent(in), :: transposed - +

    the block holds transposed data
    :: existed - +

    block already existed
    @@ -518,8 +524,8 @@

    Arguments

    @@ -543,12 +549,13 @@

    Arguments

    @@ -558,12 +565,13 @@

    Arguments

    @@ -573,12 +581,12 @@

    Arguments

    @@ -588,7 +596,7 @@

    Arguments

    @@ -603,7 +611,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_scalar.html b/develop/interface/dbcsr_scalar.html index bfa0a2aec23..8b334e6d6a3 100644 --- a/develop/interface/dbcsr_scalar.html +++ b/develop/interface/dbcsr_scalar.html @@ -173,7 +173,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -263,7 +263,7 @@

    Arguments

    @@ -308,7 +308,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_scalar_get_value.html b/develop/interface/dbcsr_scalar_get_value.html index 9e7b8aeaeba..13c56333b70 100644 --- a/develop/interface/dbcsr_scalar_get_value.html +++ b/develop/interface/dbcsr_scalar_get_value.html @@ -188,7 +188,7 @@

    Arguments

    @@ -243,7 +243,7 @@

    Arguments

    @@ -298,7 +298,7 @@

    Arguments

    @@ -353,7 +353,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_scale.html b/develop/interface/dbcsr_scale.html index 75bfaef05ad..cc362366a71 100644 --- a/develop/interface/dbcsr_scale.html +++ b/develop/interface/dbcsr_scale.html @@ -74,20 +74,20 @@

    dbcsr_scale
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 27 statements, 0.0% of total for procedures.">3 statements
  • - Source File + Source File
    • @@ -131,9 +131,8 @@

    Module Procedures

    - dbcsr_scale_anytype - dbcsr_scale_s dbcsr_scale_d + dbcsr_scale_s dbcsr_scale_c dbcsr_scale_z
    @@ -155,81 +154,11 @@

    public interface dbcsr_scale

    Module Procedures

    -

    private subroutine dbcsr_scale_anytype(matrix_a, alpha_scalar, limits) -

    -
    - -

    Scales a DBCSR matrix by alpha

    Read more… - -

    Arguments

    -

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -528,12 +534,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_8), :: block - +

    the block to reserve; added if not NULL
    - + logical, intent(in), :: transposed - +

    the block holds transposed data
    :: existed - +

    block already existed
    - + real(kind=real_4), intent(in)
    - + real(kind=real_8), intent(in)
    - + complex(kind=real_4), intent(in)
    - + complex(kind=real_8), intent(in)
    - + real(kind=real_4), intent(out)
    - + real(kind=real_8), intent(out)
    - + complex(kind=real_4), intent(out)
    - + complex(kind=real_8), intent(out)
    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    TypeIntentOptional AttributesName
    - - type(dbcsr_type), - intent(inout) - - ::matrix_a -

    DBCSR matrix

    -
    - - type(dbcsr_scalar_type), - intent(in) - - ::alpha_scalar -

    a scalar

    -
    - - integer, - intent(in),optional, - DIMENSION(4) - ::limits -

    Scale only a subbox

    -
    - - -
    -
    - -
    -

    private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)

    -

    Interface for matrix scaling by a scalar

    +

    Arguments

    @@ -244,8 +173,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -259,8 +188,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in) @@ -295,11 +224,11 @@

    Arguments

    -

    private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column)

    -

    Interface for matrix scaling by a scalar

    +

    Arguments

    @@ -314,8 +243,8 @@

    Arguments

    @@ -369,7 +298,7 @@

    Arguments

    -

    Interface for matrix scaling by a scalar

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -329,8 +258,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in) @@ -344,7 +273,7 @@

    Arguments

    - + integer, intent(in),
    @@ -384,8 +313,8 @@

    Arguments

    @@ -439,7 +368,7 @@

    Arguments

    -

    Interface for matrix scaling by a scalar

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -414,7 +343,7 @@

    Arguments

    - + integer, intent(in),
    @@ -454,8 +383,8 @@

    Arguments

    @@ -484,7 +413,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_scale_by_vector.html b/develop/interface/dbcsr_scale_by_vector.html index d169da27c9c..a711fc2d081 100644 --- a/develop/interface/dbcsr_scale_by_vector.html +++ b/develop/interface/dbcsr_scale_by_vector.html @@ -74,20 +74,20 @@

    dbcsr_scale_by_vector
  • 5 statements + title="

    0.0% of total for procedures.

    Including implementation: 28 statements, 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -131,9 +131,8 @@

    Module Procedures

    - dbcsr_scale_by_vector_anytype - dbcsr_scale_by_vector_s dbcsr_scale_by_vector_d + dbcsr_scale_by_vector_s dbcsr_scale_by_vector_c dbcsr_scale_by_vector_z
    @@ -155,81 +154,11 @@

    public interface dbcsr_scale_by_vector

    Module Procedures

    -

    private subroutine dbcsr_scale_by_vector_anytype(matrix_a, alpha, side) -

    -
    - -

    Scales a DBCSR matrix by alpha

    - -

    Arguments

    -

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -469,7 +398,7 @@

    Arguments

    - + complex(kind=real_8), intent(in)
    - + integer, intent(in),
    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    TypeIntentOptional AttributesName
    - - type(dbcsr_type), - intent(inout) - - ::matrix_a -

    DBCSR matrix

    -
    - - type(dbcsr_data_obj), - intent(in),optional - - ::alpha -

    the scaling vector

    -
    - - character(len=*), - intent(in) - - ::side -

    apply the scaling from the side

    -
    - - -
    -

    - -
    -

    private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side)

    -

    Interface for matrix scaling by a vector

    +

    Arguments

    @@ -244,8 +173,8 @@

    Arguments

    @@ -274,7 +203,7 @@

    Arguments

    @@ -295,11 +224,11 @@

    Arguments

    -

    private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side)

    -

    Interface for matrix scaling by a vector

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -259,12 +188,12 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in), - DIMENSION(:), TARGET, CONTIGUOUS + DIMENSION(:), TARGET :: alpha
    - + character(len=*), intent(in)
    @@ -314,8 +243,8 @@

    Arguments

    @@ -369,7 +298,7 @@

    Arguments

    -

    Interface for matrix scaling by a vector

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -329,12 +258,12 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in), - DIMENSION(:), TARGET, CONTIGUOUS + DIMENSION(:), TARGET :: alpha
    @@ -384,8 +313,8 @@

    Arguments

    @@ -414,7 +343,7 @@

    Arguments

    @@ -439,7 +368,7 @@

    Arguments

    -

    Interface for matrix scaling by a vector

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -404,7 +333,7 @@

    Arguments

    		 intent(in), - DIMENSION(:), TARGET, CONTIGUOUS + DIMENSION(:), TARGET :: alpha
    - + character(len=*), intent(in)
    @@ -454,8 +383,8 @@

    Arguments

    @@ -484,7 +413,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_scale_by_vector~2.html b/develop/interface/dbcsr_scale_by_vector~2.html index ed9b89697ee..da916d802ca 100644 --- a/develop/interface/dbcsr_scale_by_vector~2.html +++ b/develop/interface/dbcsr_scale_by_vector~2.html @@ -74,20 +74,20 @@

    dbcsr_scale_by_vector
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 156 statements, 0.3% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -131,8 +131,9 @@

    Module Procedures

    - dbcsr_scale_by_vector_d + dbcsr_scale_by_vector_anytype dbcsr_scale_by_vector_s + dbcsr_scale_by_vector_d dbcsr_scale_by_vector_c dbcsr_scale_by_vector_z
    @@ -154,11 +155,11 @@

    public interface dbcsr_scale_by_vector

    Module Procedures

    -

    private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_anytype(matrix_a, alpha, side)

    - +

    Scales a DBCSR matrix by alpha

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -474,7 +403,7 @@

    Arguments

    		 intent(in), - DIMENSION(:), TARGET, CONTIGUOUS + DIMENSION(:), TARGET :: alpha
    - + character(len=*), intent(in)
    @@ -173,8 +174,78 @@

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + +
    - - type(dbcsr_type), + + type(dbcsr_type), + intent(inout) + + ::matrix_a +

    DBCSR matrix

    +
    + + type(dbcsr_data_obj), + intent(in),optional + + ::alpha +

    the scaling vector

    +
    + + character(len=*), + intent(in) + + ::side +

    apply the scaling from the side

    +
    + + +
    +

    + +
    +

    private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side) +

    +
    + +

    Interface for matrix scaling by a vector

    + +

    Arguments

    + + + + + + + + + + + + @@ -203,7 +274,7 @@

    Arguments

    @@ -224,11 +295,11 @@

    Arguments

    -

    private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side)

    - +

    Interface for matrix scaling by a vector

    Arguments

    TypeIntentOptional AttributesName
    + + type(dbcsr_type), intent(inout) @@ -188,12 +259,12 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in), - DIMENSION(:), TARGET + DIMENSION(:), TARGET, CONTIGUOUS :: alpha
    - + character(len=*), intent(in)
    @@ -243,8 +314,8 @@

    Arguments

    @@ -273,7 +344,7 @@

    Arguments

    @@ -298,7 +369,7 @@

    Arguments

    - +

    Interface for matrix scaling by a vector

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -258,12 +329,12 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in), - DIMENSION(:), TARGET + DIMENSION(:), TARGET, CONTIGUOUS :: alpha
    - + character(len=*), intent(in)
    @@ -313,8 +384,8 @@

    Arguments

    @@ -368,7 +439,7 @@

    Arguments

    - +

    Interface for matrix scaling by a vector

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -328,12 +399,12 @@

    Arguments

    - + complex(kind=real_4), intent(in), - DIMENSION(:), TARGET + DIMENSION(:), TARGET, CONTIGUOUS :: alpha
    @@ -383,8 +454,8 @@

    Arguments

    diff --git a/develop/interface/dbcsr_scale~2.html b/develop/interface/dbcsr_scale~2.html index e62f7fe3e8f..afad7ad0b04 100644 --- a/develop/interface/dbcsr_scale~2.html +++ b/develop/interface/dbcsr_scale~2.html @@ -74,20 +74,20 @@

    dbcsr_scale
  • 3 statements + title="

    0.0% of total for procedures.

    Including implementation: 140 statements, 0.2% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -131,8 +131,9 @@

    Module Procedures

    - dbcsr_scale_d + dbcsr_scale_anytype dbcsr_scale_s + dbcsr_scale_d dbcsr_scale_c dbcsr_scale_z
    @@ -154,11 +155,11 @@

    public interface dbcsr_scale

    Module Procedures

    -

    private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_anytype(matrix_a, alpha_scalar, limits)

    - +

    Scales a DBCSR matrix by alpha

    Read more…

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -398,12 +469,12 @@

    Arguments

    - + complex(kind=real_8), intent(in), - DIMENSION(:), TARGET + DIMENSION(:), TARGET, CONTIGUOUS :: alpha
    @@ -173,8 +174,78 @@

    Arguments

    + + + + + + + + + + + + + + + + + + + + + + + +
    - - type(dbcsr_type), + + type(dbcsr_type), + intent(inout) + + ::matrix_a +

    DBCSR matrix

    +
    + + type(dbcsr_scalar_type), + intent(in) + + ::alpha_scalar +

    a scalar

    +
    + + integer, + intent(in),optional, + DIMENSION(4) + ::limits +

    Scale only a subbox

    +
    + + +
    +
    + +
    +

    private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column) +

    +
    + +

    Interface for matrix scaling by a scalar

    + +

    Arguments

    + + + + + + + + + + + + @@ -224,11 +295,11 @@

    Arguments

    -

    private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)

    - +

    Interface for matrix scaling by a scalar

    Arguments

    TypeIntentOptional AttributesName
    + + type(dbcsr_type), intent(inout) @@ -188,8 +259,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in) @@ -203,7 +274,7 @@

    Arguments

    - + integer, intent(in),
    @@ -243,8 +314,8 @@

    Arguments

    @@ -298,7 +369,7 @@

    Arguments

    - +

    Interface for matrix scaling by a scalar

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -258,8 +329,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in) @@ -273,7 +344,7 @@

    Arguments

    - + integer, intent(in),
    @@ -313,8 +384,8 @@

    Arguments

    @@ -343,7 +414,7 @@

    Arguments

    @@ -368,7 +439,7 @@

    Arguments

    - +

    Interface for matrix scaling by a scalar

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -328,7 +399,7 @@

    Arguments

    - + complex(kind=real_4), intent(in)
    - + integer, intent(in),
    @@ -383,8 +454,8 @@

    Arguments

    @@ -413,7 +484,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_set.html b/develop/interface/dbcsr_set.html index 6c045f4132d..430383d6cb8 100644 --- a/develop/interface/dbcsr_set.html +++ b/develop/interface/dbcsr_set.html @@ -74,20 +74,20 @@

    dbcsr_set
  • 3 statements + title="

    0.0% of total for procedures.

    Including implementation: 23 statements, 0.0% of total for procedures.">3 statements
  • - Source File + Source File
    • @@ -131,8 +131,8 @@

    Module Procedures

    - dbcsr_set_s dbcsr_set_d + dbcsr_set_s dbcsr_set_c dbcsr_set_z
    @@ -154,11 +154,11 @@

    public interface dbcsr_set

    Module Procedures

    -

    private subroutine dbcsr_set_s(matrix, alpha) +

    private subroutine dbcsr_set_d(matrix, alpha)

    -

    Interface for dbcsr_set

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -398,7 +469,7 @@

    Arguments

    - + complex(kind=real_8), intent(in)
    - + integer, intent(in),
    @@ -173,8 +173,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -188,8 +188,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in) @@ -209,11 +209,11 @@

    Arguments

    -

    private subroutine dbcsr_set_d(matrix, alpha) +

    private subroutine dbcsr_set_s(matrix, alpha)

    -

    Interface for dbcsr_set

    +

    Arguments

    @@ -228,8 +228,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -243,8 +243,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in) @@ -268,7 +268,7 @@

    Arguments

    -

    Interface for dbcsr_set

    +

    Arguments

    @@ -283,8 +283,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -323,7 +323,7 @@

    Arguments

    -

    Interface for dbcsr_set

    +

    Arguments

    @@ -338,8 +338,8 @@

    Arguments

    @@ -291,7 +291,7 @@

    Arguments

    @@ -393,7 +393,7 @@

    Arguments

    @@ -495,7 +495,7 @@

    Arguments

    @@ -597,7 +597,7 @@

    Arguments

    diff --git a/develop/interface/dbcsr_set_diag.html b/develop/interface/dbcsr_set_diag.html index 3d8ca1039ce..fd96fcfd182 100644 --- a/develop/interface/dbcsr_set_diag.html +++ b/develop/interface/dbcsr_set_diag.html @@ -74,20 +74,20 @@

    dbcsr_set_diag
  • 3 statements + title="

    0.0% of total for procedures.

    Including implementation: 24 statements, 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -131,8 +131,8 @@

    Module Procedures

    - dbcsr_set_diag_s dbcsr_set_diag_d + dbcsr_set_diag_s dbcsr_set_diag_c dbcsr_set_diag_z
    @@ -154,7 +154,7 @@

    public interface dbcsr_set_diag

    Module Procedures

    -

    private subroutine dbcsr_set_diag_s(matrix, diag) +

    private subroutine dbcsr_set_diag_d(matrix, diag)

    @@ -173,8 +173,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) diff --git a/develop/interface/dbcsr_set_block_pointer.html b/develop/interface/dbcsr_set_block_pointer.html index 7c8d95c6793..3f963f6e47b 100644 --- a/develop/interface/dbcsr_set_block_pointer.html +++ b/develop/interface/dbcsr_set_block_pointer.html @@ -174,7 +174,7 @@

    Arguments
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -188,8 +188,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in), @@ -209,7 +209,7 @@

    Arguments

    -

    private subroutine dbcsr_set_diag_d(matrix, diag) +

    private subroutine dbcsr_set_diag_s(matrix, diag)

    @@ -228,8 +228,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -243,8 +243,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in), @@ -283,8 +283,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -338,8 +338,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) diff --git a/develop/interface/dbcsr_set_diag~2.html b/develop/interface/dbcsr_set_diag~2.html index f5d20836b5b..fa831b292bb 100644 --- a/develop/interface/dbcsr_set_diag~2.html +++ b/develop/interface/dbcsr_set_diag~2.html @@ -74,20 +74,20 @@

    dbcsr_set_diag
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 99 statements, 0.2% of total for procedures.">3 statements
  • - Source File + Source File
    • @@ -131,8 +131,8 @@

    Module Procedures

    - dbcsr_set_diag_d dbcsr_set_diag_s + dbcsr_set_diag_d dbcsr_set_diag_c dbcsr_set_diag_z
    @@ -154,7 +154,7 @@

    public interface dbcsr_set_diag

    Module Procedures

    -

    private subroutine dbcsr_set_diag_d(matrix, diag) +

    private subroutine dbcsr_set_diag_s(matrix, diag)

    @@ -173,8 +173,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -188,8 +188,8 @@

    Arguments

    - - real(kind=real_8), + + real(kind=real_4), intent(in), @@ -209,7 +209,7 @@

    Arguments

    -

    private subroutine dbcsr_set_diag_s(matrix, diag) +

    private subroutine dbcsr_set_diag_d(matrix, diag)

    @@ -228,8 +228,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -243,8 +243,8 @@

    Arguments

    - - real(kind=real_4), + + real(kind=real_8), intent(in), @@ -283,8 +283,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -338,8 +338,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) diff --git a/develop/interface/dbcsr_set~2.html b/develop/interface/dbcsr_set~2.html index 68d774d0e98..94e22db760c 100644 --- a/develop/interface/dbcsr_set~2.html +++ b/develop/interface/dbcsr_set~2.html @@ -74,20 +74,20 @@

    dbcsr_set
  • 3 statements + title="

    0.0% of total for procedures.

    Including implementation: 91 statements, 0.1% of total for procedures.">3 statements
  • - Source File + Source File
    • @@ -131,8 +131,8 @@

    Module Procedures

    - dbcsr_set_d dbcsr_set_s + dbcsr_set_d dbcsr_set_c dbcsr_set_z
    @@ -154,11 +154,11 @@

    public interface dbcsr_set

    Module Procedures

    -

    private subroutine dbcsr_set_d(matrix, alpha) +

    private subroutine dbcsr_set_s(matrix, alpha)

    - +

    Interface for dbcsr_set

    Arguments

    @@ -173,8 +173,8 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -249,7 +249,7 @@

    Arguments

    diff --git a/develop/proc/acc_devmem_allocate_bytes.html b/develop/proc/acc_devmem_allocate_bytes.html index 904d504c0c4..d94fcf5d456 100644 --- a/develop/proc/acc_devmem_allocate_bytes.html +++ b/develop/proc/acc_devmem_allocate_bytes.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_devmem_allocated.html b/develop/proc/acc_devmem_allocated.html index 2463db95f30..bb53f15587e 100644 --- a/develop/proc/acc_devmem_allocated.html +++ b/develop/proc/acc_devmem_allocated.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + logical

    diff --git a/develop/proc/acc_devmem_cptr.html b/develop/proc/acc_devmem_cptr.html index 97c205aab78..6459024af5d 100644 --- a/develop/proc/acc_devmem_cptr.html +++ b/develop/proc/acc_devmem_cptr.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + logical

    diff --git a/develop/proc/acc_devmem_deallocate.html b/develop/proc/acc_devmem_deallocate.html index 002e18cd53a..8dc66b052c3 100644 --- a/develop/proc/acc_devmem_deallocate.html +++ b/develop/proc/acc_devmem_deallocate.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_devmem_ensure_size_bytes.html b/develop/proc/acc_devmem_ensure_size_bytes.html index 4d6900b5d85..4b71a5db994 100644 --- a/develop/proc/acc_devmem_ensure_size_bytes.html +++ b/develop/proc/acc_devmem_ensure_size_bytes.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -220,7 +220,7 @@

    Arguments

    diff --git a/develop/proc/acc_devmem_info.html b/develop/proc/acc_devmem_info.html index 8680bd46528..f4caf79a18b 100644 --- a/develop/proc/acc_devmem_info.html +++ b/develop/proc/acc_devmem_info.html @@ -173,7 +173,7 @@

    Arguments

    diff --git a/develop/proc/acc_devmem_set_cptr.html b/develop/proc/acc_devmem_set_cptr.html index f6eedb0ff6f..5fbf58a66cf 100644 --- a/develop/proc/acc_devmem_set_cptr.html +++ b/develop/proc/acc_devmem_set_cptr.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_devmem_setzero_bytes.html b/develop/proc/acc_devmem_setzero_bytes.html index 01a765b6206..f9100e0871d 100644 --- a/develop/proc/acc_devmem_setzero_bytes.html +++ b/develop/proc/acc_devmem_setzero_bytes.html @@ -159,7 +159,7 @@

    Arguments

    @@ -206,7 +206,7 @@

    Arguments

    diff --git a/develop/proc/acc_devmem_size_in_bytes.html b/develop/proc/acc_devmem_size_in_bytes.html index 847cb70ca68..ad178f52060 100644 --- a/develop/proc/acc_devmem_size_in_bytes.html +++ b/develop/proc/acc_devmem_size_in_bytes.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/acc_event_create.html b/develop/proc/acc_event_create.html index e5565e43912..090fc62931f 100644 --- a/develop/proc/acc_event_create.html +++ b/develop/proc/acc_event_create.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_event_destroy.html b/develop/proc/acc_event_destroy.html index 9096d46a5a6..99cf2c71ea3 100644 --- a/develop/proc/acc_event_destroy.html +++ b/develop/proc/acc_event_destroy.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_event_query.html b/develop/proc/acc_event_query.html index 948e618901e..5ec573011d7 100644 --- a/develop/proc/acc_event_query.html +++ b/develop/proc/acc_event_query.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + logical

    diff --git a/develop/proc/acc_event_record.html b/develop/proc/acc_event_record.html index 2c3efaa0371..ef31cf32982 100644 --- a/develop/proc/acc_event_record.html +++ b/develop/proc/acc_event_record.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_event_synchronize.html b/develop/proc/acc_event_synchronize.html index 88c6844d07d..e391b019d5d 100644 --- a/develop/proc/acc_event_synchronize.html +++ b/develop/proc/acc_event_synchronize.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_c4.html b/develop/proc/acc_hostmem_alloc_c4.html index 8c2336b70a3..c5d7b06a845 100644 --- a/develop/proc/acc_hostmem_alloc_c4.html +++ b/develop/proc/acc_hostmem_alloc_c4.html @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_c4_2d.html b/develop/proc/acc_hostmem_alloc_c4_2d.html index d08543aae25..7c658d5df89 100644 --- a/develop/proc/acc_hostmem_alloc_c4_2d.html +++ b/develop/proc/acc_hostmem_alloc_c4_2d.html @@ -206,7 +206,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_c8.html b/develop/proc/acc_hostmem_alloc_c8.html index 057bc10d7cc..e1389d34503 100644 --- a/develop/proc/acc_hostmem_alloc_c8.html +++ b/develop/proc/acc_hostmem_alloc_c8.html @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_c8_2d.html b/develop/proc/acc_hostmem_alloc_c8_2d.html index c62006926cf..bec110a5169 100644 --- a/develop/proc/acc_hostmem_alloc_c8_2d.html +++ b/develop/proc/acc_hostmem_alloc_c8_2d.html @@ -206,7 +206,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_i4.html b/develop/proc/acc_hostmem_alloc_i4.html index 4eec566df02..c99b27a712f 100644 --- a/develop/proc/acc_hostmem_alloc_i4.html +++ b/develop/proc/acc_hostmem_alloc_i4.html @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_i4_2d.html b/develop/proc/acc_hostmem_alloc_i4_2d.html index 265000c3d16..0f4d358242b 100644 --- a/develop/proc/acc_hostmem_alloc_i4_2d.html +++ b/develop/proc/acc_hostmem_alloc_i4_2d.html @@ -206,7 +206,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_i8.html b/develop/proc/acc_hostmem_alloc_i8.html index 930eda24da3..e8b2c139314 100644 --- a/develop/proc/acc_hostmem_alloc_i8.html +++ b/develop/proc/acc_hostmem_alloc_i8.html @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_i8_2d.html b/develop/proc/acc_hostmem_alloc_i8_2d.html index 9a92452a5e7..cf702f725a6 100644 --- a/develop/proc/acc_hostmem_alloc_i8_2d.html +++ b/develop/proc/acc_hostmem_alloc_i8_2d.html @@ -206,7 +206,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_r4.html b/develop/proc/acc_hostmem_alloc_r4.html index ff063383f4c..1365dee41e5 100644 --- a/develop/proc/acc_hostmem_alloc_r4.html +++ b/develop/proc/acc_hostmem_alloc_r4.html @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_r4_2d.html b/develop/proc/acc_hostmem_alloc_r4_2d.html index 0dca3dc6ed1..63cb15d8e34 100644 --- a/develop/proc/acc_hostmem_alloc_r4_2d.html +++ b/develop/proc/acc_hostmem_alloc_r4_2d.html @@ -206,7 +206,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_r8.html b/develop/proc/acc_hostmem_alloc_r8.html index ad4274f7ae9..27a0e67998d 100644 --- a/develop/proc/acc_hostmem_alloc_r8.html +++ b/develop/proc/acc_hostmem_alloc_r8.html @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_alloc_r8_2d.html b/develop/proc/acc_hostmem_alloc_r8_2d.html index 2c5c375acd6..9106906907b 100644 --- a/develop/proc/acc_hostmem_alloc_r8_2d.html +++ b/develop/proc/acc_hostmem_alloc_r8_2d.html @@ -206,7 +206,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_c4.html b/develop/proc/acc_hostmem_dealloc_c4.html index 76bb8393a87..2a256e6f0b5 100644 --- a/develop/proc/acc_hostmem_dealloc_c4.html +++ b/develop/proc/acc_hostmem_dealloc_c4.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_c4_2d.html b/develop/proc/acc_hostmem_dealloc_c4_2d.html index aa70c6638d0..c8297b39faf 100644 --- a/develop/proc/acc_hostmem_dealloc_c4_2d.html +++ b/develop/proc/acc_hostmem_dealloc_c4_2d.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_c8.html b/develop/proc/acc_hostmem_dealloc_c8.html index bddb91ef0a8..d9f00905d97 100644 --- a/develop/proc/acc_hostmem_dealloc_c8.html +++ b/develop/proc/acc_hostmem_dealloc_c8.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_c8_2d.html b/develop/proc/acc_hostmem_dealloc_c8_2d.html index e4898f7a6b7..6135e298145 100644 --- a/develop/proc/acc_hostmem_dealloc_c8_2d.html +++ b/develop/proc/acc_hostmem_dealloc_c8_2d.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_i4.html b/develop/proc/acc_hostmem_dealloc_i4.html index e9fa9f4a225..49ef0387470 100644 --- a/develop/proc/acc_hostmem_dealloc_i4.html +++ b/develop/proc/acc_hostmem_dealloc_i4.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_i4_2d.html b/develop/proc/acc_hostmem_dealloc_i4_2d.html index 5a475e4b75c..d38704729a2 100644 --- a/develop/proc/acc_hostmem_dealloc_i4_2d.html +++ b/develop/proc/acc_hostmem_dealloc_i4_2d.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_i8.html b/develop/proc/acc_hostmem_dealloc_i8.html index e9887d5b182..6788d97304a 100644 --- a/develop/proc/acc_hostmem_dealloc_i8.html +++ b/develop/proc/acc_hostmem_dealloc_i8.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_i8_2d.html b/develop/proc/acc_hostmem_dealloc_i8_2d.html index 4faf2ecc5f1..a665d741a8f 100644 --- a/develop/proc/acc_hostmem_dealloc_i8_2d.html +++ b/develop/proc/acc_hostmem_dealloc_i8_2d.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_r4.html b/develop/proc/acc_hostmem_dealloc_r4.html index 14e08ac08f9..5987860a4af 100644 --- a/develop/proc/acc_hostmem_dealloc_r4.html +++ b/develop/proc/acc_hostmem_dealloc_r4.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_r4_2d.html b/develop/proc/acc_hostmem_dealloc_r4_2d.html index 5fa37d2db2a..410b9801f41 100644 --- a/develop/proc/acc_hostmem_dealloc_r4_2d.html +++ b/develop/proc/acc_hostmem_dealloc_r4_2d.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_r8.html b/develop/proc/acc_hostmem_dealloc_r8.html index 2c07ba35485..d5ef0c80552 100644 --- a/develop/proc/acc_hostmem_dealloc_r8.html +++ b/develop/proc/acc_hostmem_dealloc_r8.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_hostmem_dealloc_r8_2d.html b/develop/proc/acc_hostmem_dealloc_r8_2d.html index 946ee1e7167..3714d2081f7 100644 --- a/develop/proc/acc_hostmem_dealloc_r8_2d.html +++ b/develop/proc/acc_hostmem_dealloc_r8_2d.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/acc_stream_associated.html b/develop/proc/acc_stream_associated.html index 5c8a5bc592d..ebf47afa3ef 100644 --- a/develop/proc/acc_stream_associated.html +++ b/develop/proc/acc_stream_associated.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_stream_cptr.html b/develop/proc/acc_stream_cptr.html index 002a10fa990..83dac7532c4 100644 --- a/develop/proc/acc_stream_cptr.html +++ b/develop/proc/acc_stream_cptr.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_stream_create.html b/develop/proc/acc_stream_create.html index b2eaf457851..c1edd4eb6b9 100644 --- a/develop/proc/acc_stream_create.html +++ b/develop/proc/acc_stream_create.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/acc_stream_destroy.html b/develop/proc/acc_stream_destroy.html index 3a976adec71..7ab90b68fc1 100644 --- a/develop/proc/acc_stream_destroy.html +++ b/develop/proc/acc_stream_destroy.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_stream_equal.html b/develop/proc/acc_stream_equal.html index c56c3db1f84..347c24b80c8 100644 --- a/develop/proc/acc_stream_equal.html +++ b/develop/proc/acc_stream_equal.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_stream_priority_range.html b/develop/proc/acc_stream_priority_range.html index fefb8b0d05a..7c008294149 100644 --- a/develop/proc/acc_stream_priority_range.html +++ b/develop/proc/acc_stream_priority_range.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_stream_synchronize.html b/develop/proc/acc_stream_synchronize.html index 51603893728..e0d4635f782 100644 --- a/develop/proc/acc_stream_synchronize.html +++ b/develop/proc/acc_stream_synchronize.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/acc_stream_wait_event.html b/develop/proc/acc_stream_wait_event.html index 67a93e1e926..270064e0b80 100644 --- a/develop/proc/acc_stream_wait_event.html +++ b/develop/proc/acc_stream_wait_event.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/acc_transpose_blocks.html b/develop/proc/acc_transpose_blocks.html index 48e2f4c8e8b..ab63cc5716b 100644 --- a/develop/proc/acc_transpose_blocks.html +++ b/develop/proc/acc_transpose_blocks.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -249,7 +249,7 @@

    Arguments

    @@ -264,7 +264,7 @@

    Arguments

    diff --git a/develop/proc/accept_pgrid_dims.html b/develop/proc/accept_pgrid_dims.html index 33dda499754..771022e8e5a 100644 --- a/develop/proc/accept_pgrid_dims.html +++ b/develop/proc/accept_pgrid_dims.html @@ -153,7 +153,7 @@

    Arguments

    diff --git a/develop/proc/add_work_coordinate.html b/develop/proc/add_work_coordinate.html index b50bf432064..11695b84681 100644 --- a/develop/proc/add_work_coordinate.html +++ b/develop/proc/add_work_coordinate.html @@ -164,7 +164,7 @@

    Arguments

    @@ -179,7 +179,7 @@

    Arguments

    @@ -195,7 +195,7 @@

    Arguments

    @@ -211,7 +211,7 @@

    Arguments

    @@ -226,7 +226,7 @@

    Arguments

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    diff --git a/develop/proc/create_block_nodata_r_dp.html b/develop/proc/create_block_nodata_r_dp.html index 4b3ccf8ab57..6eb13d7da12 100644 --- a/develop/proc/create_block_nodata_r_dp.html +++ b/develop/proc/create_block_nodata_r_dp.html @@ -153,7 +153,7 @@

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    diff --git a/develop/proc/create_block_nodata_r_sp.html b/develop/proc/create_block_nodata_r_sp.html index 7694895e076..d903108ec55 100644 --- a/develop/proc/create_block_nodata_r_sp.html +++ b/develop/proc/create_block_nodata_r_sp.html @@ -153,7 +153,7 @@

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    diff --git a/develop/proc/create_block_norms_matrix.html b/develop/proc/create_block_norms_matrix.html index 29b9b93e30c..ed1f7a81eaf 100644 --- a/develop/proc/create_block_norms_matrix.html +++ b/develop/proc/create_block_norms_matrix.html @@ -153,7 +153,7 @@

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    diff --git a/develop/proc/create_nd_to_2d_mapping.html b/develop/proc/create_nd_to_2d_mapping.html index 6ebb2e415bb..74eef120358 100644 --- a/develop/proc/create_nd_to_2d_mapping.html +++ b/develop/proc/create_nd_to_2d_mapping.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/csr_conversion_test.html b/develop/proc/csr_conversion_test.html index ba1605df75a..ebaf85bffd9 100644 --- a/develop/proc/csr_conversion_test.html +++ b/develop/proc/csr_conversion_test.html @@ -162,7 +162,7 @@

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    diff --git a/develop/proc/csr_create_from_dbcsr.html b/develop/proc/csr_create_from_dbcsr.html index 44494ad998c..7a928cef87d 100644 --- a/develop/proc/csr_create_from_dbcsr.html +++ b/develop/proc/csr_create_from_dbcsr.html @@ -223,7 +223,7 @@

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    diff --git a/develop/proc/csr_create_new.html b/develop/proc/csr_create_new.html index be44d37ba0e..94594eef8ff 100644 --- a/develop/proc/csr_create_new.html +++ b/develop/proc/csr_create_new.html @@ -253,7 +253,7 @@

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    diff --git a/develop/proc/csr_create_new~2.html b/develop/proc/csr_create_new~2.html index 9d8dc97b1b1..923450db9aa 100644 --- a/develop/proc/csr_create_new~2.html +++ b/develop/proc/csr_create_new~2.html @@ -158,7 +158,7 @@

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    diff --git a/develop/proc/csr_create_template.html b/develop/proc/csr_create_template.html index 541391c143d..b9732c29b39 100644 --- a/develop/proc/csr_create_template.html +++ b/develop/proc/csr_create_template.html @@ -160,7 +160,7 @@

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    diff --git a/develop/proc/csr_print_sparsity.html b/develop/proc/csr_print_sparsity.html index e6c90513418..4b7a7ed5931 100644 --- a/develop/proc/csr_print_sparsity.html +++ b/develop/proc/csr_print_sparsity.html @@ -174,7 +174,7 @@

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    diff --git a/develop/proc/csr_write.html b/develop/proc/csr_write.html index f24278b74da..5b246722984 100644 --- a/develop/proc/csr_write.html +++ b/develop/proc/csr_write.html @@ -174,7 +174,7 @@

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    diff --git a/develop/proc/cuda_nvtx_range_push.html b/develop/proc/cuda_nvtx_range_push.html index d20494f2465..adf9e4fca75 100644 --- a/develop/proc/cuda_nvtx_range_push.html +++ b/develop/proc/cuda_nvtx_range_push.html @@ -158,7 +158,7 @@

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    diff --git a/develop/proc/cyclic_dist.html b/develop/proc/cyclic_dist.html index 7e8066f04ca..c4d11ecd75a 100644 --- a/develop/proc/cyclic_dist.html +++ b/develop/proc/cyclic_dist.html @@ -154,7 +154,7 @@

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    diff --git a/develop/proc/cyclic_rowcols.html b/develop/proc/cyclic_rowcols.html index 63c34b3b017..10074ea119b 100644 --- a/develop/proc/cyclic_rowcols.html +++ b/develop/proc/cyclic_rowcols.html @@ -154,7 +154,7 @@

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    diff --git a/develop/proc/dbcsr_1d_d_sort.html b/develop/proc/dbcsr_1d_d_sort.html index cf9c9f32de6..4635186155c 100644 --- a/develop/proc/dbcsr_1d_d_sort.html +++ b/develop/proc/dbcsr_1d_d_sort.html @@ -175,7 +175,7 @@

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    diff --git a/develop/proc/dbcsr_1d_i4_sort.html b/develop/proc/dbcsr_1d_i4_sort.html index ea2adf0850a..32ad5bd0f9b 100644 --- a/develop/proc/dbcsr_1d_i4_sort.html +++ b/develop/proc/dbcsr_1d_i4_sort.html @@ -175,7 +175,7 @@

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    diff --git a/develop/proc/dbcsr_1d_i8_sort.html b/develop/proc/dbcsr_1d_i8_sort.html index d4082623128..2750772b64a 100644 --- a/develop/proc/dbcsr_1d_i8_sort.html +++ b/develop/proc/dbcsr_1d_i8_sort.html @@ -175,7 +175,7 @@

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    diff --git a/develop/proc/dbcsr_1d_s_sort.html b/develop/proc/dbcsr_1d_s_sort.html index 8885db55ca2..f3c5034cee4 100644 --- a/develop/proc/dbcsr_1d_s_sort.html +++ b/develop/proc/dbcsr_1d_s_sort.html @@ -175,7 +175,7 @@

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    diff --git a/develop/proc/dbcsr__a.html b/develop/proc/dbcsr__a.html index a4e4b940caf..62336a20606 100644 --- a/develop/proc/dbcsr__a.html +++ b/develop/proc/dbcsr__a.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr__b.html b/develop/proc/dbcsr__b.html index 9a66db5fd4d..fa455815ecb 100644 --- a/develop/proc/dbcsr__b.html +++ b/develop/proc/dbcsr__b.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr__l.html b/develop/proc/dbcsr__l.html index fdf1c0d2a93..8b97af48f7c 100644 --- a/develop/proc/dbcsr__l.html +++ b/develop/proc/dbcsr__l.html @@ -159,7 +159,7 @@

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    @@ -192,7 +192,7 @@

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    Return Value - + character(len=default_string_length)

    diff --git a/develop/proc/dbcsr__w.html b/develop/proc/dbcsr__w.html index 3ce8ae7d0c1..090a68dd198 100644 --- a/develop/proc/dbcsr__w.html +++ b/develop/proc/dbcsr__w.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr_abort.html b/develop/proc/dbcsr_abort.html index c7427221533..611a36befbf 100644 --- a/develop/proc/dbcsr_abort.html +++ b/develop/proc/dbcsr_abort.html @@ -159,7 +159,7 @@

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    @@ -174,7 +174,7 @@

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    diff --git a/develop/proc/dbcsr_abort_handler.html b/develop/proc/dbcsr_abort_handler.html index 25227182c2e..10be7fa3cae 100644 --- a/develop/proc/dbcsr_abort_handler.html +++ b/develop/proc/dbcsr_abort_handler.html @@ -159,7 +159,7 @@

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    @@ -174,7 +174,7 @@

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    diff --git a/develop/proc/dbcsr_acc_do_mm_stack.html b/develop/proc/dbcsr_acc_do_mm_stack.html index 6b32709d06e..74c3edc19d1 100644 --- a/develop/proc/dbcsr_acc_do_mm_stack.html +++ b/develop/proc/dbcsr_acc_do_mm_stack.html @@ -189,7 +189,7 @@

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    diff --git a/develop/proc/dbcsr_acc_get_ndevices.html b/develop/proc/dbcsr_acc_get_ndevices.html index 6152522e19b..067171c0066 100644 --- a/develop/proc/dbcsr_acc_get_ndevices.html +++ b/develop/proc/dbcsr_acc_get_ndevices.html @@ -151,7 +151,7 @@

    Arguments


    Return Value - + integer

    diff --git a/develop/proc/dbcsr_acc_transpose.html b/develop/proc/dbcsr_acc_transpose.html index 4f2adb9f086..6e282f42bb8 100644 --- a/develop/proc/dbcsr_acc_transpose.html +++ b/develop/proc/dbcsr_acc_transpose.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr_add_anytype.html b/develop/proc/dbcsr_add_anytype.html index 8350c854fdc..24e80c20c26 100644 --- a/develop/proc/dbcsr_add_anytype.html +++ b/develop/proc/dbcsr_add_anytype.html @@ -160,7 +160,7 @@

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    diff --git a/develop/proc/dbcsr_add_anytype_c.html b/develop/proc/dbcsr_add_anytype_c.html index 5858ace8562..69c7a603a13 100644 --- a/develop/proc/dbcsr_add_anytype_c.html +++ b/develop/proc/dbcsr_add_anytype_c.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr_add_anytype_d.html b/develop/proc/dbcsr_add_anytype_d.html index 9d01f2a3fed..6a675c6ff3f 100644 --- a/develop/proc/dbcsr_add_anytype_d.html +++ b/develop/proc/dbcsr_add_anytype_d.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr_add_anytype_s.html b/develop/proc/dbcsr_add_anytype_s.html index f33adde25b5..af15f429396 100644 --- a/develop/proc/dbcsr_add_anytype_s.html +++ b/develop/proc/dbcsr_add_anytype_s.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr_add_anytype_z.html b/develop/proc/dbcsr_add_anytype_z.html index 88c8865a435..c9626db4665 100644 --- a/develop/proc/dbcsr_add_anytype_z.html +++ b/develop/proc/dbcsr_add_anytype_z.html @@ -159,7 +159,7 @@

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    @@ -174,7 +174,7 @@

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    @@ -204,7 +204,7 @@

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    diff --git a/develop/proc/dbcsr_add_block_node.html b/develop/proc/dbcsr_add_block_node.html index e70008708d5..6877068c0c2 100644 --- a/develop/proc/dbcsr_add_block_node.html +++ b/develop/proc/dbcsr_add_block_node.html @@ -74,20 +74,20 @@

    dbcsr_add_block_node
  • 28 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -162,8 +162,8 @@

    Arguments

    @@ -246,49 +246,14 @@

    Source Code

    !! block. Currently it only and always uses the mutable data. TYPE(dbcsr_type), INTENT(INOUT) :: matrix - !! DBCSR matrix + !! DBCSR matrix INTEGER, INTENT(IN) :: block_row, block_col - !! the row - !! the column + !! the row + !! the column REAL(KIND=dp), DIMENSION(:, :), POINTER :: block - !! the block to put - - INTEGER :: c, ithread, mynode, p, r - LOGICAL :: dbg, existed, is_there, tr - TYPE(dbcsr_distribution_obj) :: dist - -! --------------------------------------------------------------------------- - - dbg = .FALSE. - - ithread = 0 -!$ ithread = omp_get_thread_num() - IF (.NOT. ASSOCIATED(matrix%wms)) THEN - CALL dbcsr_work_create(matrix, work_mutable=.TRUE.) - matrix%valid = .FALSE. - END IF -!$ IF (SIZE(matrix%wms) .LT. omp_get_num_threads()) & -!$ DBCSR_ABORT("Too few threads.") - IF (.NOT. dbcsr_wm_use_mutable(matrix%wms(ithread + 1))) & - DBCSR_ABORT("Data loss due to no conversion of appendable to mutable data") - is_there = ASSOCIATED(block) - !r = row ; c = col ; tr = .FALSE. - !CALL dbcsr_get_stored_coordinates (matrix, r, c, tr) - !CALL dbcsr_reserve_block2d (matrix, row, col, block) - !write(*,*) 'add_block_node: block_row',block_row,' block_col',block_col - CALL dbcsr_reserve_block2d(matrix, block_row, block_col, block, & - existed=existed) -! - IF (dbg) THEN - r = block_row; c = block_col; tr = .FALSE. - CALL dbcsr_get_stored_coordinates(matrix, r, c, p) - CALL dbcsr_get_info(matrix, distribution=dist) - CALL dbcsr_distribution_get(dist, mynode=mynode) - IF (p .NE. mynode) & - DBCSR_WARN("Adding non-local element") - END IF - IF (existed) DBCSR_WARN("You should not add existing blocks according to old API.") - IF (.NOT. is_there) block(:, :) = 0.0_dp + !! the block to put + + call dbcsr_add_block_node_prv(matrix%prv, block_row, block_col, block) END SUBROUTINE dbcsr_add_block_node diff --git a/develop/proc/dbcsr_add_block_node~2.html b/develop/proc/dbcsr_add_block_node~2.html index 65c1f5fe818..522151425d6 100644 --- a/develop/proc/dbcsr_add_block_node~2.html +++ b/develop/proc/dbcsr_add_block_node~2.html @@ -74,20 +74,20 @@

    dbcsr_add_block_node
  • 6 statements + title=" 0.0% of total for procedures.">28 statements
  • - Source File + Source File
    • @@ -162,8 +162,8 @@

    Arguments

    @@ -246,14 +246,49 @@

    Source Code

    !! block. Currently it only and always uses the mutable data. TYPE(dbcsr_type), INTENT(INOUT) :: matrix - !! DBCSR matrix + !! DBCSR matrix INTEGER, INTENT(IN) :: block_row, block_col - !! the row - !! the column + !! the row + !! the column REAL(KIND=dp), DIMENSION(:, :), POINTER :: block - !! the block to put - - call dbcsr_add_block_node_prv(matrix%prv, block_row, block_col, block) + !! the block to put + + INTEGER :: c, ithread, mynode, p, r + LOGICAL :: dbg, existed, is_there, tr + TYPE(dbcsr_distribution_obj) :: dist + +! --------------------------------------------------------------------------- + + dbg = .FALSE. + + ithread = 0 +!$ ithread = omp_get_thread_num() + IF (.NOT. ASSOCIATED(matrix%wms)) THEN + CALL dbcsr_work_create(matrix, work_mutable=.TRUE.) + matrix%valid = .FALSE. + END IF +!$ IF (SIZE(matrix%wms) .LT. omp_get_num_threads()) & +!$ DBCSR_ABORT("Too few threads.") + IF (.NOT. dbcsr_wm_use_mutable(matrix%wms(ithread + 1))) & + DBCSR_ABORT("Data loss due to no conversion of appendable to mutable data") + is_there = ASSOCIATED(block) + !r = row ; c = col ; tr = .FALSE. + !CALL dbcsr_get_stored_coordinates (matrix, r, c, tr) + !CALL dbcsr_reserve_block2d (matrix, row, col, block) + !write(*,*) 'add_block_node: block_row',block_row,' block_col',block_col + CALL dbcsr_reserve_block2d(matrix, block_row, block_col, block, & + existed=existed) +! + IF (dbg) THEN + r = block_row; c = block_col; tr = .FALSE. + CALL dbcsr_get_stored_coordinates(matrix, r, c, p) + CALL dbcsr_get_info(matrix, distribution=dist) + CALL dbcsr_distribution_get(dist, mynode=mynode) + IF (p .NE. mynode) & + DBCSR_WARN("Adding non-local element") + END IF + IF (existed) DBCSR_WARN("You should not add existing blocks according to old API.") + IF (.NOT. is_there) block(:, :) = 0.0_dp END SUBROUTINE dbcsr_add_block_node diff --git a/develop/proc/dbcsr_add_c.html b/develop/proc/dbcsr_add_c.html index ac1cfcca327..df150ab7b56 100644 --- a/develop/proc/dbcsr_add_c.html +++ b/develop/proc/dbcsr_add_c.html @@ -74,20 +74,20 @@

    dbcsr_add_c
  • 14 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -233,25 +233,13 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar)
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
-      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_b
-      COMPLEX(real_4), INTENT(IN)                        :: alpha_scalar, beta_scalar
+    
          SUBROUTINE dbcsr_add_c (matrix_a, matrix_b, alpha_scalar, beta_scalar)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
+         TYPE(dbcsr_type), INTENT(IN)             :: matrix_b
+         COMPLEX(kind=real_4), INTENT(IN)                      :: alpha_scalar, beta_scalar
 
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_c'
-      INTEGER                                            :: handle
-
-      CALL timeset(routineN, handle)
-      IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_complex_4 .AND. &
-          dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_complex_4) THEN
-         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
-                                alpha_scalar=dbcsr_scalar(alpha_scalar), &
-                                beta_scalar=dbcsr_scalar(beta_scalar))
-      ELSE
-         DBCSR_ABORT("Invalid combination of data type, NYI")
-      END IF
-      CALL timestop(handle)
-   END SUBROUTINE dbcsr_add_c
+         CALL dbcsr_add_prv(matrix_a%prv, matrix_b%prv, alpha_scalar, beta_scalar)
+      END SUBROUTINE dbcsr_add_c
    diff --git a/develop/proc/dbcsr_add_c~2.html b/develop/proc/dbcsr_add_c~2.html index ef42463ffac..ac77ad5dcaa 100644 --- a/develop/proc/dbcsr_add_c~2.html +++ b/develop/proc/dbcsr_add_c~2.html @@ -74,20 +74,20 @@

    dbcsr_add_c
  • 6 statements + title=" 0.0% of total for procedures.">14 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments

    @@ -233,13 +233,25 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_c (matrix_a, matrix_b, alpha_scalar, beta_scalar)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
-         TYPE(dbcsr_type), INTENT(IN)             :: matrix_b
-         COMPLEX(kind=real_4), INTENT(IN)                      :: alpha_scalar, beta_scalar
+    
       SUBROUTINE dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar)
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
+      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_b
+      COMPLEX(real_4), INTENT(IN)                        :: alpha_scalar, beta_scalar
 
-         CALL dbcsr_add_prv(matrix_a%prv, matrix_b%prv, alpha_scalar, beta_scalar)
-      END SUBROUTINE dbcsr_add_c
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_c'
+      INTEGER                                            :: handle
+
+      CALL timeset(routineN, handle)
+      IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_complex_4 .AND. &
+          dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_complex_4) THEN
+         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
+                                alpha_scalar=dbcsr_scalar(alpha_scalar), &
+                                beta_scalar=dbcsr_scalar(beta_scalar))
+      ELSE
+         DBCSR_ABORT("Invalid combination of data type, NYI")
+      END IF
+      CALL timestop(handle)
+   END SUBROUTINE dbcsr_add_c
    diff --git a/develop/proc/dbcsr_add_d.html b/develop/proc/dbcsr_add_d.html index 288b140a87d..38d043536b2 100644 --- a/develop/proc/dbcsr_add_d.html +++ b/develop/proc/dbcsr_add_d.html @@ -74,20 +74,20 @@

    dbcsr_add_d
  • 20 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scala

    -

    Interface for dbcsr_add

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -204,7 +203,7 @@

    Arguments

    @@ -234,41 +233,13 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)
-      !! Interface for dbcsr_add
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
-      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_b
-      REAL(real_8), INTENT(IN)                           :: alpha_scalar, beta_scalar
+    
          SUBROUTINE dbcsr_add_d (matrix_a, matrix_b, alpha_scalar, beta_scalar)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
+         TYPE(dbcsr_type), INTENT(IN)             :: matrix_b
+         REAL(kind=real_8), INTENT(IN)                      :: alpha_scalar, beta_scalar
 
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_d'
-      INTEGER                                            :: handle
-
-      CALL timeset(routineN, handle)
-      IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_real_8 .AND. &
-          dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_real_8) THEN
-         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
-                                alpha_scalar=dbcsr_scalar(alpha_scalar), &
-                                beta_scalar=dbcsr_scalar(beta_scalar))
-      ELSEIF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_real_4 .AND. &
-              dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_real_4) THEN
-         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
-                                alpha_scalar=dbcsr_scalar(REAL(alpha_scalar, real_4)), &
-                                beta_scalar=dbcsr_scalar(REAL(beta_scalar, real_4)))
-      ELSEIF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_complex_4 .AND. &
-              dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_complex_4) THEN
-         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
-                                alpha_scalar=dbcsr_scalar(CMPLX(alpha_scalar, 0, real_4)), &
-                                beta_scalar=dbcsr_scalar(CMPLX(beta_scalar, 0, real_4)))
-      ELSEIF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_complex_8 .AND. &
-              dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_complex_8) THEN
-         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
-                                alpha_scalar=dbcsr_scalar(CMPLX(alpha_scalar, 0, real_8)), &
-                                beta_scalar=dbcsr_scalar(CMPLX(beta_scalar, 0, real_8)))
-      ELSE
-         DBCSR_ABORT("Invalid combination of data type, NYI")
-      END IF
-      CALL timestop(handle)
-   END SUBROUTINE dbcsr_add_d
+         CALL dbcsr_add_prv(matrix_a%prv, matrix_b%prv, alpha_scalar, beta_scalar)
+      END SUBROUTINE dbcsr_add_d
    diff --git a/develop/proc/dbcsr_add_default_logger.html b/develop/proc/dbcsr_add_default_logger.html index f0d85b22f79..5315f62e2ab 100644 --- a/develop/proc/dbcsr_add_default_logger.html +++ b/develop/proc/dbcsr_add_default_logger.html @@ -165,7 +165,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_add_d~2.html b/develop/proc/dbcsr_add_d~2.html index d9f13ad14b2..dd8720aabb7 100644 --- a/develop/proc/dbcsr_add_d~2.html +++ b/develop/proc/dbcsr_add_d~2.html @@ -74,20 +74,20 @@

    dbcsr_add_d
  • 6 statements + title=" 0.0% of total for procedures.">20 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scala

    +

    Interface for dbcsr_add

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -233,13 +234,41 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_d (matrix_a, matrix_b, alpha_scalar, beta_scalar)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
-         TYPE(dbcsr_type), INTENT(IN)             :: matrix_b
-         REAL(kind=real_8), INTENT(IN)                      :: alpha_scalar, beta_scalar
+    
       SUBROUTINE dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)
+      !! Interface for dbcsr_add
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
+      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_b
+      REAL(real_8), INTENT(IN)                           :: alpha_scalar, beta_scalar
 
-         CALL dbcsr_add_prv(matrix_a%prv, matrix_b%prv, alpha_scalar, beta_scalar)
-      END SUBROUTINE dbcsr_add_d
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_d'
+      INTEGER                                            :: handle
+
+      CALL timeset(routineN, handle)
+      IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_real_8 .AND. &
+          dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_real_8) THEN
+         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
+                                alpha_scalar=dbcsr_scalar(alpha_scalar), &
+                                beta_scalar=dbcsr_scalar(beta_scalar))
+      ELSEIF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_real_4 .AND. &
+              dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_real_4) THEN
+         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
+                                alpha_scalar=dbcsr_scalar(REAL(alpha_scalar, real_4)), &
+                                beta_scalar=dbcsr_scalar(REAL(beta_scalar, real_4)))
+      ELSEIF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_complex_4 .AND. &
+              dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_complex_4) THEN
+         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
+                                alpha_scalar=dbcsr_scalar(CMPLX(alpha_scalar, 0, real_4)), &
+                                beta_scalar=dbcsr_scalar(CMPLX(beta_scalar, 0, real_4)))
+      ELSEIF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_complex_8 .AND. &
+              dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_complex_8) THEN
+         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
+                                alpha_scalar=dbcsr_scalar(CMPLX(alpha_scalar, 0, real_8)), &
+                                beta_scalar=dbcsr_scalar(CMPLX(beta_scalar, 0, real_8)))
+      ELSE
+         DBCSR_ABORT("Invalid combination of data type, NYI")
+      END IF
+      CALL timestop(handle)
+   END SUBROUTINE dbcsr_add_d
    diff --git a/develop/proc/dbcsr_add_on_diag_c.html b/develop/proc/dbcsr_add_on_diag_c.html index 5dfd199c1ea..4a23759b76f 100644 --- a/develop/proc/dbcsr_add_on_diag_c.html +++ b/develop/proc/dbcsr_add_on_diag_c.html @@ -74,20 +74,20 @@

    dbcsr_add_on_diag_c
  • 31 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_add_on_diag_c(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_c(matrix, alpha_scalar)

    -

    add a constant to the diagonal of a matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -182,9 +181,9 @@

    Arguments

    - + @@ -204,54 +203,11 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_on_diag_c (matrix, alpha)
-      !! add a constant to the diagonal of a matrix
-
+    
          SUBROUTINE dbcsr_add_on_diag_c (matrix, alpha_scalar)
          TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         !! DBCSR matrix
-         COMPLEX(kind=real_4), INTENT(IN)                                :: alpha
-         !! scalar
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_on_diag'
-
-         INTEGER                                            :: handle, mynode, node, irow, i, row_size
-         LOGICAL                                            :: found, tr
-         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_4) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
-
-         CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
-
-         DO irow = 1, dbcsr_nblkrows_total(matrix)
-            CALL dbcsr_get_stored_coordinates(matrix, irow, irow, node)
-            IF (node /= mynode) CYCLE
-
-            CALL dbcsr_get_block_p(matrix, irow, irow, block, tr, found, row_size=row_size)
-            IF (.NOT. found) THEN
-               ALLOCATE (block(row_size, row_size))
-               block(:, :) = CMPLX(0.0, 0.0, real_4)
-            END IF
-
-            DO i = 1, row_size
-               block(i, i) = block(i, i) + alpha
-            END DO
-
-            IF (.NOT. found) THEN
-               CALL dbcsr_put_block(matrix, irow, irow, block)
-               DEALLOCATE (block)
-            END IF
-         END DO
+         COMPLEX(kind=real_4), INTENT(IN)                                :: alpha_scalar
 
-         CALL dbcsr_finalize(matrix)
-         CALL timestop(handle)
+         CALL dbcsr_add_on_diag_prv(matrix%prv, alpha_scalar)
       END SUBROUTINE dbcsr_add_on_diag_c
 
    
 
diff --git a/develop/proc/dbcsr_add_on_diag_c~2.html b/develop/proc/dbcsr_add_on_diag_c~2.html
index 7a9a532ee18..6e5e21c957d 100644
--- a/develop/proc/dbcsr_add_on_diag_c~2.html
+++ b/develop/proc/dbcsr_add_on_diag_c~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_add_on_diag_c
 
             
  • 
               5 statements
+                 title=" 0.1% of total for procedures.">31 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_add_on_diag_c(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_c(matrix, alpha)

    +

    add a constant to the diagonal of a matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -181,9 +182,9 @@

    Arguments

    - + @@ -203,11 +204,54 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_on_diag_c (matrix, alpha_scalar)
+    
          SUBROUTINE dbcsr_add_on_diag_c (matrix, alpha)
+      !! add a constant to the diagonal of a matrix
+
          TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         COMPLEX(kind=real_4), INTENT(IN)                                :: alpha_scalar
+         !! DBCSR matrix
+         COMPLEX(kind=real_4), INTENT(IN)                                :: alpha
+         !! scalar
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_on_diag'
+
+         INTEGER                                            :: handle, mynode, node, irow, i, row_size
+         LOGICAL                                            :: found, tr
+         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_4) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
+
+         CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
+
+         DO irow = 1, dbcsr_nblkrows_total(matrix)
+            CALL dbcsr_get_stored_coordinates(matrix, irow, irow, node)
+            IF (node /= mynode) CYCLE
+
+            CALL dbcsr_get_block_p(matrix, irow, irow, block, tr, found, row_size=row_size)
+            IF (.NOT. found) THEN
+               ALLOCATE (block(row_size, row_size))
+               block(:, :) = CMPLX(0.0, 0.0, real_4)
+            END IF
+
+            DO i = 1, row_size
+               block(i, i) = block(i, i) + alpha
+            END DO
+
+            IF (.NOT. found) THEN
+               CALL dbcsr_put_block(matrix, irow, irow, block)
+               DEALLOCATE (block)
+            END IF
+         END DO
 
-         CALL dbcsr_add_on_diag_prv(matrix%prv, alpha_scalar)
+         CALL dbcsr_finalize(matrix)
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_add_on_diag_c
 
    
 
diff --git a/develop/proc/dbcsr_add_on_diag_d.html b/develop/proc/dbcsr_add_on_diag_d.html
index 07f56bcffb6..4bb9b813862 100644
--- a/develop/proc/dbcsr_add_on_diag_d.html
+++ b/develop/proc/dbcsr_add_on_diag_d.html
@@ -74,20 +74,20 @@ 
    dbcsr_add_on_diag_d
 
             
  • 
               31 statements
+                 title=" 0.0% of total for procedures.">5 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_add_on_diag_d(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_d(matrix, alpha_scalar)

    -

    add a constant to the diagonal of a matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -182,9 +181,9 @@

    Arguments

    - + @@ -204,54 +203,11 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_on_diag_d (matrix, alpha)
-      !! add a constant to the diagonal of a matrix
-
+    
          SUBROUTINE dbcsr_add_on_diag_d (matrix, alpha_scalar)
          TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         !! DBCSR matrix
-         REAL(kind=real_8), INTENT(IN)                                :: alpha
-         !! scalar
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_on_diag'
-
-         INTEGER                                            :: handle, mynode, node, irow, i, row_size
-         LOGICAL                                            :: found, tr
-         REAL(kind=real_8), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_8) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
-
-         CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
-
-         DO irow = 1, dbcsr_nblkrows_total(matrix)
-            CALL dbcsr_get_stored_coordinates(matrix, irow, irow, node)
-            IF (node /= mynode) CYCLE
-
-            CALL dbcsr_get_block_p(matrix, irow, irow, block, tr, found, row_size=row_size)
-            IF (.NOT. found) THEN
-               ALLOCATE (block(row_size, row_size))
-               block(:, :) = 0.0_real_8
-            END IF
-
-            DO i = 1, row_size
-               block(i, i) = block(i, i) + alpha
-            END DO
-
-            IF (.NOT. found) THEN
-               CALL dbcsr_put_block(matrix, irow, irow, block)
-               DEALLOCATE (block)
-            END IF
-         END DO
+         REAL(kind=real_8), INTENT(IN)                                :: alpha_scalar
 
-         CALL dbcsr_finalize(matrix)
-         CALL timestop(handle)
+         CALL dbcsr_add_on_diag_prv(matrix%prv, alpha_scalar)
       END SUBROUTINE dbcsr_add_on_diag_d
 
    
 
diff --git a/develop/proc/dbcsr_add_on_diag_ds.html b/develop/proc/dbcsr_add_on_diag_ds.html
index 25d246981e8..86a85d1a977 100644
--- a/develop/proc/dbcsr_add_on_diag_ds.html
+++ b/develop/proc/dbcsr_add_on_diag_ds.html
@@ -158,7 +158,7 @@ 
    Arguments
    @@ -173,7 +173,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_add_on_diag_d~2.html b/develop/proc/dbcsr_add_on_diag_d~2.html index 9724c965179..458626396de 100644 --- a/develop/proc/dbcsr_add_on_diag_d~2.html +++ b/develop/proc/dbcsr_add_on_diag_d~2.html @@ -74,20 +74,20 @@

    dbcsr_add_on_diag_d
  • 5 statements + title=" 0.1% of total for procedures.">31 statements
  • - Source File + Source File
    • @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_add_on_diag_d(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_d(matrix, alpha)

    +

    add a constant to the diagonal of a matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -181,9 +182,9 @@

    Arguments

    - + @@ -203,11 +204,54 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_on_diag_d (matrix, alpha_scalar)
+    
          SUBROUTINE dbcsr_add_on_diag_d (matrix, alpha)
+      !! add a constant to the diagonal of a matrix
+
          TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         REAL(kind=real_8), INTENT(IN)                                :: alpha_scalar
+         !! DBCSR matrix
+         REAL(kind=real_8), INTENT(IN)                                :: alpha
+         !! scalar
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_on_diag'
+
+         INTEGER                                            :: handle, mynode, node, irow, i, row_size
+         LOGICAL                                            :: found, tr
+         REAL(kind=real_8), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_8) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
+
+         CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
+
+         DO irow = 1, dbcsr_nblkrows_total(matrix)
+            CALL dbcsr_get_stored_coordinates(matrix, irow, irow, node)
+            IF (node /= mynode) CYCLE
+
+            CALL dbcsr_get_block_p(matrix, irow, irow, block, tr, found, row_size=row_size)
+            IF (.NOT. found) THEN
+               ALLOCATE (block(row_size, row_size))
+               block(:, :) = 0.0_real_8
+            END IF
+
+            DO i = 1, row_size
+               block(i, i) = block(i, i) + alpha
+            END DO
+
+            IF (.NOT. found) THEN
+               CALL dbcsr_put_block(matrix, irow, irow, block)
+               DEALLOCATE (block)
+            END IF
+         END DO
 
-         CALL dbcsr_add_on_diag_prv(matrix%prv, alpha_scalar)
+         CALL dbcsr_finalize(matrix)
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_add_on_diag_d
 
    
 
diff --git a/develop/proc/dbcsr_add_on_diag_s.html b/develop/proc/dbcsr_add_on_diag_s.html
index 300dd35868d..71451ffdafb 100644
--- a/develop/proc/dbcsr_add_on_diag_s.html
+++ b/develop/proc/dbcsr_add_on_diag_s.html
@@ -74,20 +74,20 @@ 
    dbcsr_add_on_diag_s
 
             
  • 
               31 statements
+                 title=" 0.0% of total for procedures.">5 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_add_on_diag_s(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_s(matrix, alpha_scalar)

    -

    add a constant to the diagonal of a matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -182,9 +181,9 @@

    Arguments

    - + @@ -204,54 +203,11 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_on_diag_s (matrix, alpha)
-      !! add a constant to the diagonal of a matrix
-
+    
          SUBROUTINE dbcsr_add_on_diag_s (matrix, alpha_scalar)
          TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         !! DBCSR matrix
-         REAL(kind=real_4), INTENT(IN)                                :: alpha
-         !! scalar
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_on_diag'
-
-         INTEGER                                            :: handle, mynode, node, irow, i, row_size
-         LOGICAL                                            :: found, tr
-         REAL(kind=real_4), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_4) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
-
-         CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
-
-         DO irow = 1, dbcsr_nblkrows_total(matrix)
-            CALL dbcsr_get_stored_coordinates(matrix, irow, irow, node)
-            IF (node /= mynode) CYCLE
-
-            CALL dbcsr_get_block_p(matrix, irow, irow, block, tr, found, row_size=row_size)
-            IF (.NOT. found) THEN
-               ALLOCATE (block(row_size, row_size))
-               block(:, :) = 0.0_real_4
-            END IF
-
-            DO i = 1, row_size
-               block(i, i) = block(i, i) + alpha
-            END DO
-
-            IF (.NOT. found) THEN
-               CALL dbcsr_put_block(matrix, irow, irow, block)
-               DEALLOCATE (block)
-            END IF
-         END DO
+         REAL(kind=real_4), INTENT(IN)                                :: alpha_scalar
 
-         CALL dbcsr_finalize(matrix)
-         CALL timestop(handle)
+         CALL dbcsr_add_on_diag_prv(matrix%prv, alpha_scalar)
       END SUBROUTINE dbcsr_add_on_diag_s
 
    
 
diff --git a/develop/proc/dbcsr_add_on_diag_s~2.html b/develop/proc/dbcsr_add_on_diag_s~2.html
index 1e284b2ece3..d4b635337f1 100644
--- a/develop/proc/dbcsr_add_on_diag_s~2.html
+++ b/develop/proc/dbcsr_add_on_diag_s~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_add_on_diag_s
 
             
  • 
               5 statements
+                 title=" 0.1% of total for procedures.">31 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_add_on_diag_s(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_s(matrix, alpha)

    +

    add a constant to the diagonal of a matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -181,9 +182,9 @@

    Arguments

    - + @@ -203,11 +204,54 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_on_diag_s (matrix, alpha_scalar)
+    
          SUBROUTINE dbcsr_add_on_diag_s (matrix, alpha)
+      !! add a constant to the diagonal of a matrix
+
          TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         REAL(kind=real_4), INTENT(IN)                                :: alpha_scalar
+         !! DBCSR matrix
+         REAL(kind=real_4), INTENT(IN)                                :: alpha
+         !! scalar
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_on_diag'
+
+         INTEGER                                            :: handle, mynode, node, irow, i, row_size
+         LOGICAL                                            :: found, tr
+         REAL(kind=real_4), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_4) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
+
+         CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
+
+         DO irow = 1, dbcsr_nblkrows_total(matrix)
+            CALL dbcsr_get_stored_coordinates(matrix, irow, irow, node)
+            IF (node /= mynode) CYCLE
+
+            CALL dbcsr_get_block_p(matrix, irow, irow, block, tr, found, row_size=row_size)
+            IF (.NOT. found) THEN
+               ALLOCATE (block(row_size, row_size))
+               block(:, :) = 0.0_real_4
+            END IF
+
+            DO i = 1, row_size
+               block(i, i) = block(i, i) + alpha
+            END DO
+
+            IF (.NOT. found) THEN
+               CALL dbcsr_put_block(matrix, irow, irow, block)
+               DEALLOCATE (block)
+            END IF
+         END DO
 
-         CALL dbcsr_add_on_diag_prv(matrix%prv, alpha_scalar)
+         CALL dbcsr_finalize(matrix)
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_add_on_diag_s
 
    
 
diff --git a/develop/proc/dbcsr_add_on_diag_z.html b/develop/proc/dbcsr_add_on_diag_z.html
index 920fa2e5fa9..3826b44bb62 100644
--- a/develop/proc/dbcsr_add_on_diag_z.html
+++ b/develop/proc/dbcsr_add_on_diag_z.html
@@ -74,20 +74,20 @@ 
    dbcsr_add_on_diag_z
 
             
  • 
               31 statements
+                 title=" 0.0% of total for procedures.">5 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_add_on_diag_z(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_z(matrix, alpha_scalar)

    -

    add a constant to the diagonal of a matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -182,9 +181,9 @@

    Arguments

    - + @@ -204,54 +203,11 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_on_diag_z (matrix, alpha)
-      !! add a constant to the diagonal of a matrix
-
+    
          SUBROUTINE dbcsr_add_on_diag_z (matrix, alpha_scalar)
          TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         !! DBCSR matrix
-         COMPLEX(kind=real_8), INTENT(IN)                                :: alpha
-         !! scalar
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_on_diag'
-
-         INTEGER                                            :: handle, mynode, node, irow, i, row_size
-         LOGICAL                                            :: found, tr
-         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_8) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
-
-         CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
-
-         DO irow = 1, dbcsr_nblkrows_total(matrix)
-            CALL dbcsr_get_stored_coordinates(matrix, irow, irow, node)
-            IF (node /= mynode) CYCLE
-
-            CALL dbcsr_get_block_p(matrix, irow, irow, block, tr, found, row_size=row_size)
-            IF (.NOT. found) THEN
-               ALLOCATE (block(row_size, row_size))
-               block(:, :) = CMPLX(0.0, 0.0, real_8)
-            END IF
-
-            DO i = 1, row_size
-               block(i, i) = block(i, i) + alpha
-            END DO
-
-            IF (.NOT. found) THEN
-               CALL dbcsr_put_block(matrix, irow, irow, block)
-               DEALLOCATE (block)
-            END IF
-         END DO
+         COMPLEX(kind=real_8), INTENT(IN)                                :: alpha_scalar
 
-         CALL dbcsr_finalize(matrix)
-         CALL timestop(handle)
+         CALL dbcsr_add_on_diag_prv(matrix%prv, alpha_scalar)
       END SUBROUTINE dbcsr_add_on_diag_z
 
    
 
diff --git a/develop/proc/dbcsr_add_on_diag_z~2.html b/develop/proc/dbcsr_add_on_diag_z~2.html
index f001daa3d45..827c030dd18 100644
--- a/develop/proc/dbcsr_add_on_diag_z~2.html
+++ b/develop/proc/dbcsr_add_on_diag_z~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_add_on_diag_z
 
             
  • 
               5 statements
+                 title=" 0.1% of total for procedures.">31 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_add_on_diag_z(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_z(matrix, alpha)

    +

    add a constant to the diagonal of a matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -181,9 +182,9 @@

    Arguments

    - + @@ -203,11 +204,54 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_on_diag_z (matrix, alpha_scalar)
+    
          SUBROUTINE dbcsr_add_on_diag_z (matrix, alpha)
+      !! add a constant to the diagonal of a matrix
+
          TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         COMPLEX(kind=real_8), INTENT(IN)                                :: alpha_scalar
+         !! DBCSR matrix
+         COMPLEX(kind=real_8), INTENT(IN)                                :: alpha
+         !! scalar
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_on_diag'
+
+         INTEGER                                            :: handle, mynode, node, irow, i, row_size
+         LOGICAL                                            :: found, tr
+         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_8) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
+
+         CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
+
+         DO irow = 1, dbcsr_nblkrows_total(matrix)
+            CALL dbcsr_get_stored_coordinates(matrix, irow, irow, node)
+            IF (node /= mynode) CYCLE
+
+            CALL dbcsr_get_block_p(matrix, irow, irow, block, tr, found, row_size=row_size)
+            IF (.NOT. found) THEN
+               ALLOCATE (block(row_size, row_size))
+               block(:, :) = CMPLX(0.0, 0.0, real_8)
+            END IF
+
+            DO i = 1, row_size
+               block(i, i) = block(i, i) + alpha
+            END DO
+
+            IF (.NOT. found) THEN
+               CALL dbcsr_put_block(matrix, irow, irow, block)
+               DEALLOCATE (block)
+            END IF
+         END DO
 
-         CALL dbcsr_add_on_diag_prv(matrix%prv, alpha_scalar)
+         CALL dbcsr_finalize(matrix)
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_add_on_diag_z
 
    
 
diff --git a/develop/proc/dbcsr_add_s.html b/develop/proc/dbcsr_add_s.html
index 0c74f18d358..d3f6f48b564 100644
--- a/develop/proc/dbcsr_add_s.html
+++ b/develop/proc/dbcsr_add_s.html
@@ -74,20 +74,20 @@ 
    dbcsr_add_s
 
             
  • 
               14 statements
+                 title=" 0.0% of total for procedures.">6 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -158,8 +158,8 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -233,25 +233,13 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
-      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_b
-      REAL(real_4), INTENT(IN)                           :: alpha_scalar, beta_scalar
+    
          SUBROUTINE dbcsr_add_s (matrix_a, matrix_b, alpha_scalar, beta_scalar)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
+         TYPE(dbcsr_type), INTENT(IN)             :: matrix_b
+         REAL(kind=real_4), INTENT(IN)                      :: alpha_scalar, beta_scalar
 
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_s'
-      INTEGER                                            :: handle
-
-      CALL timeset(routineN, handle)
-      IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_real_4 .AND. &
-          dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_real_4) THEN
-         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
-                                alpha_scalar=dbcsr_scalar(alpha_scalar), &
-                                beta_scalar=dbcsr_scalar(beta_scalar))
-      ELSE
-         DBCSR_ABORT("Invalid combination of data type, NYI")
-      END IF
-      CALL timestop(handle)
-   END SUBROUTINE dbcsr_add_s
+         CALL dbcsr_add_prv(matrix_a%prv, matrix_b%prv, alpha_scalar, beta_scalar)
+      END SUBROUTINE dbcsr_add_s
    diff --git a/develop/proc/dbcsr_add_s~2.html b/develop/proc/dbcsr_add_s~2.html index 0e437a3a4a0..e6147ee9f7b 100644 --- a/develop/proc/dbcsr_add_s~2.html +++ b/develop/proc/dbcsr_add_s~2.html @@ -74,20 +74,20 @@

    dbcsr_add_s
  • 6 statements + title=" 0.0% of total for procedures.">14 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments

    @@ -233,13 +233,25 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_s (matrix_a, matrix_b, alpha_scalar, beta_scalar)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
-         TYPE(dbcsr_type), INTENT(IN)             :: matrix_b
-         REAL(kind=real_4), INTENT(IN)                      :: alpha_scalar, beta_scalar
+    
       SUBROUTINE dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
+      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_b
+      REAL(real_4), INTENT(IN)                           :: alpha_scalar, beta_scalar
 
-         CALL dbcsr_add_prv(matrix_a%prv, matrix_b%prv, alpha_scalar, beta_scalar)
-      END SUBROUTINE dbcsr_add_s
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_s'
+      INTEGER                                            :: handle
+
+      CALL timeset(routineN, handle)
+      IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_real_4 .AND. &
+          dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_real_4) THEN
+         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
+                                alpha_scalar=dbcsr_scalar(alpha_scalar), &
+                                beta_scalar=dbcsr_scalar(beta_scalar))
+      ELSE
+         DBCSR_ABORT("Invalid combination of data type, NYI")
+      END IF
+      CALL timestop(handle)
+   END SUBROUTINE dbcsr_add_s
    diff --git a/develop/proc/dbcsr_add_wm_from_matrix.html b/develop/proc/dbcsr_add_wm_from_matrix.html index 55bd5b07b89..f082e96c5bb 100644 --- a/develop/proc/dbcsr_add_wm_from_matrix.html +++ b/develop/proc/dbcsr_add_wm_from_matrix.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_add_work_coordinate.html b/develop/proc/dbcsr_add_work_coordinate.html index 8d2cff87863..4dfb77a432c 100644 --- a/develop/proc/dbcsr_add_work_coordinate.html +++ b/develop/proc/dbcsr_add_work_coordinate.html @@ -158,7 +158,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -233,7 +233,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_add_z.html b/develop/proc/dbcsr_add_z.html index 82560e212d1..433d61b8b3f 100644 --- a/develop/proc/dbcsr_add_z.html +++ b/develop/proc/dbcsr_add_z.html @@ -74,20 +74,20 @@

    dbcsr_add_z
  • 16 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -233,30 +233,13 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar)
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
-      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_b
-      COMPLEX(real_8), INTENT(IN)                        :: alpha_scalar, beta_scalar
+    
          SUBROUTINE dbcsr_add_z (matrix_a, matrix_b, alpha_scalar, beta_scalar)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
+         TYPE(dbcsr_type), INTENT(IN)             :: matrix_b
+         COMPLEX(kind=real_8), INTENT(IN)                      :: alpha_scalar, beta_scalar
 
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_z'
-      INTEGER                                            :: handle
-
-      CALL timeset(routineN, handle)
-      IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_complex_8 .AND. &
-          dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_complex_8) THEN
-         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
-                                alpha_scalar=dbcsr_scalar(alpha_scalar), &
-                                beta_scalar=dbcsr_scalar(beta_scalar))
-      ELSEIF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_complex_4 .AND. &
-              dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_complex_4) THEN
-         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
-                                alpha_scalar=dbcsr_scalar(CMPLX(alpha_scalar, KIND=real_4)), &
-                                beta_scalar=dbcsr_scalar(CMPLX(beta_scalar, KIND=real_4)))
-      ELSE
-         DBCSR_ABORT("Invalid combination of data type, NYI")
-      END IF
-      CALL timestop(handle)
-   END SUBROUTINE dbcsr_add_z
+         CALL dbcsr_add_prv(matrix_a%prv, matrix_b%prv, alpha_scalar, beta_scalar)
+      END SUBROUTINE dbcsr_add_z
    diff --git a/develop/proc/dbcsr_add_z~2.html b/develop/proc/dbcsr_add_z~2.html index 3fc954785bc..c05086f40f7 100644 --- a/develop/proc/dbcsr_add_z~2.html +++ b/develop/proc/dbcsr_add_z~2.html @@ -74,20 +74,20 @@

    dbcsr_add_z
  • 6 statements + title=" 0.0% of total for procedures.">16 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments

    @@ -233,13 +233,30 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_add_z (matrix_a, matrix_b, alpha_scalar, beta_scalar)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
-         TYPE(dbcsr_type), INTENT(IN)             :: matrix_b
-         COMPLEX(kind=real_8), INTENT(IN)                      :: alpha_scalar, beta_scalar
+    
       SUBROUTINE dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar)
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
+      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_b
+      COMPLEX(real_8), INTENT(IN)                        :: alpha_scalar, beta_scalar
 
-         CALL dbcsr_add_prv(matrix_a%prv, matrix_b%prv, alpha_scalar, beta_scalar)
-      END SUBROUTINE dbcsr_add_z
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_add_z'
+      INTEGER                                            :: handle
+
+      CALL timeset(routineN, handle)
+      IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_complex_8 .AND. &
+          dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_complex_8) THEN
+         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
+                                alpha_scalar=dbcsr_scalar(alpha_scalar), &
+                                beta_scalar=dbcsr_scalar(beta_scalar))
+      ELSEIF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_complex_4 .AND. &
+              dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_complex_4) THEN
+         CALL dbcsr_add_anytype(matrix_a, matrix_b, &
+                                alpha_scalar=dbcsr_scalar(CMPLX(alpha_scalar, KIND=real_4)), &
+                                beta_scalar=dbcsr_scalar(CMPLX(beta_scalar, KIND=real_4)))
+      ELSE
+         DBCSR_ABORT("Invalid combination of data type, NYI")
+      END IF
+      CALL timestop(handle)
+   END SUBROUTINE dbcsr_add_z
    diff --git a/develop/proc/dbcsr_addto_index_array.html b/develop/proc/dbcsr_addto_index_array.html index 1d28e217c1c..386e4c328e5 100644 --- a/develop/proc/dbcsr_addto_index_array.html +++ b/develop/proc/dbcsr_addto_index_array.html @@ -159,7 +159,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_allgatherv.html b/develop/proc/dbcsr_allgatherv.html index 7b0f42f678c..471c081f576 100644 --- a/develop/proc/dbcsr_allgatherv.html +++ b/develop/proc/dbcsr_allgatherv.html @@ -163,7 +163,7 @@

    Arguments

    @@ -178,7 +178,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -208,7 +208,7 @@

    Arguments

    @@ -238,7 +238,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_binary_read.html b/develop/proc/dbcsr_binary_read.html index d4de62c4a6d..20d25a831ca 100644 --- a/develop/proc/dbcsr_binary_read.html +++ b/develop/proc/dbcsr_binary_read.html @@ -74,20 +74,20 @@

    dbcsr_binary_read
  • 248 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public subroutine dbcsr_binary_read(filepath, distribution, matrix_new)

    -

    Reads a DBCSR matrix from a file

    Arguments

    @@ -159,7 +158,7 @@

    Arguments

    @@ -169,13 +168,13 @@

    Arguments

    @@ -220,327 +219,11 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_binary_read(filepath, distribution, matrix_new)
-      !! Reads a DBCSR matrix from a file
-
-      IMPLICIT NONE
-
-      CHARACTER(len=*), INTENT(IN)                :: filepath
-         !! path to the file
-      TYPE(dbcsr_distribution_obj), INTENT(IN)     :: distribution
-         !! row and column distribution
-      TYPE(dbcsr_type), INTENT(INOUT)               :: matrix_new
-         !! DBCSR matrix
-
-      CHARACTER(LEN=*), PARAMETER :: routineN = 'dbcsr_binary_read'
-
-      INTEGER                               :: nblkrows_total, nblkcols_total, &
-                                               nblks, darea_size, data_type, type_size, &
-                                               globalinfo_size, &
-                                               size_of_pgrid, &
-                                               i, j, &
-                                               nblocks, &
-                                               share_size, order, cur_blks, &
-                                               job_count, start_index, end_index, &
-                                               localinfo_length, blockdata_length, &
-                                               worker_id, group_list_size, handle, linfo_length
-      CHARACTER                             :: matrix_type
-      CHARACTER(LEN=default_string_length)  :: matrix_name
-      INTEGER, PARAMETER                    :: version_len = 10
-      CHARACTER(LEN=version_len)            :: version
-      CHARACTER(LEN=80)                     :: matrix_name_v_1_0
-      CHARACTER(LEN=version_len), PARAMETER :: version_v_1_0 = "DBCSRv_1.0"
-      TYPE(mp_comm_type)                    :: group_id
-      TYPE(mp_file_type)                    :: thefile
-
-      INTEGER, DIMENSION(:), POINTER        :: row_p, col_i, blk_p, &
-                                               proc_nblks, proc_darea_sizes
-      INTEGER, DIMENSION(4)                 :: values
-      INTEGER, ALLOCATABLE, DIMENSION(:)    :: linfo_lens, bdata_lens
-      INTEGER, ALLOCATABLE, DIMENSION(:), TARGET     :: ginfo_vec, linfo_vec, &
-                                                        rowp, coli, blkp
-      INTEGER, ALLOCATABLE, DIMENSION(:, :), TARGET   :: val_data
-      INTEGER, DIMENSION(:), POINTER, CONTIGUOUS     :: row_blk_size, col_blk_size
-      TYPE(dbcsr_mp_obj)                             :: mp_env
-      TYPE(dbcsr_data_obj)                           :: dblk
-      REAL(sp)                                       :: rsp_dummy(1)
-      REAL(dp)                                       :: rdp_dummy(1)
-      COMPLEX(sp)                                    :: csp_dummy(1)
-      COMPLEX(dp)                                    :: cdp_dummy(1)
-      REAL(sp), ALLOCATABLE, DIMENSION(:), TARGET     :: rsp
-      REAL(dp), ALLOCATABLE, DIMENSION(:), TARGET     :: rdp
-      COMPLEX(sp), ALLOCATABLE, DIMENSION(:), TARGET  :: csp
-      COMPLEX(dp), ALLOCATABLE, DIMENSION(:), TARGET  :: cdp
-      INTEGER(kind=file_offset), ALLOCATABLE, DIMENSION(:)   :: subh2_offsets, &
-                                                                subh3_disps, subh3_offsets, &
-                                                                bdata_disps, bdata_offsets
-      INTEGER(kind=file_offset), PARAMETER    :: BOF = 0
-      INTEGER(kind=file_offset)               :: offset, subh2_start, subh3_start, bdata_start, file_size, &
-                                                 localinfo_offset, blockdata_offset, sum_nblks, subh3_length, data_area_size
-      INTEGER, PARAMETER                      :: char_count = 1 + version_len + default_string_length
-
-      CALL timeset(routineN, handle)
-
-      mp_env = dbcsr_distribution_mp(distribution)
-      group_id = dbcsr_mp_group(mp_env)
-
-      CALL mp_environ(group_list_size, worker_id, group_id)
-      CALL mp_file_open(group_id, thefile, filepath, file_amode_rdonly)
-
-! read version, matrix name and matrix type
-      CALL mp_file_read_at_all(thefile, BOF, version)
-
-      IF (version /= version_v_1_0) &
-         DBCSR_WARN("Trying to read an unknown version of the matrix data file. Good luck!")
-
-      CALL mp_file_read_at_all(thefile, BOF + version_len*mpi_character_size, matrix_name_v_1_0)
-      matrix_name = matrix_name_v_1_0
-
-      CALL mp_file_read_at_all(thefile, BOF + (version_len + default_string_length)*mpi_character_size, matrix_type)
-! read 4 integer values form sub-header1
-      CALL mp_file_read_at_all(thefile, BOF + char_count*mpi_character_size, values)
-      size_of_pgrid = values(1)
-      data_type = values(2)
-      nblkrows_total = values(3)
-      nblkcols_total = values(4)
-! read 2 vectors, row_blk_size and col_blk_size, from sub-header1
-      globalinfo_size = nblkrows_total + nblkcols_total
-      ALLOCATE (ginfo_vec(globalinfo_size))
-      CALL mp_file_read_at_all(thefile, BOF + char_count*mpi_character_size + 4*mpi_integer_size, ginfo_vec)
-      row_blk_size => ginfo_vec(1:nblkrows_total)
-      col_blk_size => ginfo_vec(nblkrows_total + 1:globalinfo_size)
-
-! compute the offsets where sub-header2 and sub-header3 start
-      subh2_start = (4 + globalinfo_size)*mpi_integer_size + char_count*mpi_character_size
-      subh3_start = subh2_start + 2*size_of_pgrid*mpi_integer_size
-
-! compute the offsets in sub-header2 and read 2 integers nblocks, data_area_size
-      ! number of data chunks from sub-header 2 and 3 to be read by every node rounded up
-      ! to the next integer to make it even for all the nodes in the specified mpi group
-      share_size = CEILING(REAL(size_of_pgrid, KIND=dp)/group_list_size)
-
-      ALLOCATE (subh2_offsets(share_size))
-      subh2_offsets = BOF
-      DO i = 1, share_size
-         offset = subh2_start + mpi_integer_size*2*(worker_id + (i - 1)*group_list_size)
-         IF (offset .GE. subh3_start) EXIT
-         subh2_offsets(i) = offset
-      END DO
-
-      ALLOCATE (val_data(3, share_size))
-      val_data(:, :) = 0
-      DO i = 1, share_size
-         CALL mp_file_read_at_all(thefile, subh2_offsets(i), values, msglen=2)
-         nblocks = values(1)
-         data_area_size = values(2)
-         IF (subh2_offsets(i) .EQ. 0) EXIT
-         val_data(1, i) = nblocks
-         IF (data_area_size >= HUGE(val_data(2, i))) &
-            DBCSR_ABORT("Data area too large, fix code.")
-         val_data(2, i) = INT(data_area_size)
-         val_data(3, i) = worker_id + (i - 1)*group_list_size + 1 ! order
-         ! order = indices of an array of length size_of_pgrid to be accessed by the current node
-      END DO
-      nblks = SUM(val_data(1, :))
-      darea_size = SUM(val_data(2, :))
-      proc_nblks => val_data(1, :) ! to be passed to dbcsr_datablock_redistribute
-      proc_darea_sizes => val_data(2, :) ! to be passed to dbcsr_datablock_redistribute
-
-! compute the offsets in sub-header3 and read 3 vectors row_p, col_i, blk_p
-      ! actual number of chunks to be read by the current node
-      job_count = COUNT(val_data(3, :) .NE. 0)
-      CALL mp_file_get_size(thefile, file_size)
-
-      ALLOCATE (linfo_lens(size_of_pgrid))
-      ALLOCATE (subh3_disps(size_of_pgrid))
-      ALLOCATE (subh3_offsets(size_of_pgrid))
-      linfo_lens = 0; subh3_disps = 0
-      DO i = 1, size_of_pgrid
-         DO j = 1, share_size
-            order = val_data(3, j)
-            IF (i .EQ. order) linfo_lens(order) = &
-               1 + nblkrows_total + 2*val_data(1, j)
-         END DO
-      END DO
-      CALL mp_sum(linfo_lens, group_id)
-      CALL cumsum_l(INT(linfo_lens, kind=file_offset), subh3_disps)
-      subh3_disps(:) = CSHIFT(subh3_disps, shift=-1)
-      subh3_disps(1) = BOF
-      subh3_offsets(:) = subh3_start + subh3_disps*mpi_integer_size
-
-      sum_nblks = INT(nblks, kind=file_offset)
-      CALL mp_sum(sum_nblks, group_id)
-      subh3_length = size_of_pgrid*INT(1 + nblkrows_total, KIND=file_offset) + 2*sum_nblks
-
-      linfo_length = nblkrows_total + 1 + 2*MAXVAL(val_data(1, :))
-
-      ALLOCATE (linfo_vec(linfo_length))
-      ALLOCATE (rowp((nblkrows_total + 1)*job_count))
-      ALLOCATE (coli(nblks))
-      ALLOCATE (blkp(nblks))
-      DO i = 1, share_size
-         order = val_data(3, i)
-         cur_blks = val_data(1, i)
-         IF (order .EQ. 0) THEN
-            localinfo_offset = file_size
-            localinfo_length = 0
-         ELSE
-            localinfo_offset = subh3_offsets(order)
-            localinfo_length = linfo_lens(order)
-         END IF
-         CALL mp_file_read_at_all(thefile, localinfo_offset, linfo_vec, msglen=localinfo_length)
-         IF (localinfo_length .EQ. 0) EXIT
-
-         rowp((i - 1)*(nblkrows_total + 1) + 1:i*(nblkrows_total + 1)) = linfo_vec(1:nblkrows_total + 1)
-         start_index = SUM(val_data(1, 1:i - 1)) + 1
-         end_index = SUM(val_data(1, 1:i))
-         coli(start_index:end_index) = &
-            linfo_vec(nblkrows_total + 2:cur_blks + nblkrows_total + 1)
-         blkp(start_index:end_index) = &
-            linfo_vec(cur_blks + nblkrows_total + 2:2*cur_blks + nblkrows_total + 1)
-      END DO
-      row_p => rowp
-      col_i => coli
-      blk_p => blkp
-
-! compute the offsets and read block data
-      ALLOCATE (bdata_lens(size_of_pgrid))
-      ALLOCATE (bdata_disps(size_of_pgrid))
-      ALLOCATE (bdata_offsets(size_of_pgrid))
-      bdata_lens = 0
-      DO i = 1, size_of_pgrid
-         DO j = 1, share_size
-            order = val_data(3, j)
-            IF (i .EQ. order) bdata_lens(order) = val_data(2, j)
-         END DO
-      END DO
-      CALL mp_sum(bdata_lens, group_id)
-      CALL cumsum_l(INT(bdata_lens, kind=file_offset), bdata_disps)
-      bdata_disps(:) = CSHIFT(bdata_disps, shift=-1)
-      bdata_disps(1) = BOF
-
-      bdata_start = subh3_start + subh3_length*mpi_integer_size
-      SELECT CASE (data_type)
-      CASE (dbcsr_type_real_4)
-         type_size = real_4_size
-      CASE (dbcsr_type_real_8)
-         type_size = real_8_size
-      CASE (dbcsr_type_complex_4)
-         type_size = 2*real_4_size
-      CASE (dbcsr_type_complex_8)
-         type_size = 2*real_8_size
-      END SELECT
-      bdata_offsets(:) = bdata_start + bdata_disps*type_size
-
-      SELECT CASE (data_type)
-      CASE (dbcsr_type_real_4)
-         ALLOCATE (rsp(darea_size))
-         DO i = 1, share_size
-            order = val_data(3, i)
-            ! use dummy one-sized data array as buffer in place of empty array
-            ! when nothing is supposed to be read (order = 0)
-            IF (order .EQ. 0) THEN
-               blockdata_offset = file_size
-               CALL mp_file_read_at_all(thefile, blockdata_offset, rsp_dummy)
-            ELSE
-               start_index = SUM(val_data(2, 1:i - 1)) + 1
-               end_index = SUM(val_data(2, 1:i))
-               blockdata_length = bdata_lens(order)
-               blockdata_offset = bdata_offsets(order)
-               CALL mp_file_read_at_all(thefile, blockdata_offset, rsp(start_index:end_index), &
-                                        msglen=blockdata_length)
-            END IF
-         END DO
-      CASE (dbcsr_type_real_8)
-         ALLOCATE (rdp(darea_size))
-         DO i = 1, share_size
-            order = val_data(3, i)
-            IF (order .EQ. 0) THEN
-               blockdata_offset = file_size
-               CALL mp_file_read_at_all(thefile, blockdata_offset, rdp_dummy)
-            ELSE
-               start_index = SUM(val_data(2, 1:i - 1)) + 1
-               end_index = SUM(val_data(2, 1:i))
-               blockdata_length = bdata_lens(order)
-               blockdata_offset = bdata_offsets(order)
-               CALL mp_file_read_at_all(thefile, blockdata_offset, rdp(start_index:end_index), &
-                                        msglen=blockdata_length)
-            END IF
-         END DO
-      CASE (dbcsr_type_complex_4)
-         ALLOCATE (csp(darea_size))
-         DO i = 1, share_size
-            order = val_data(3, i)
-            IF (order .EQ. 0) THEN
-               blockdata_offset = file_size
-               CALL mp_file_read_at_all(thefile, blockdata_offset, csp_dummy)
-            ELSE
-               start_index = SUM(val_data(2, 1:i - 1)) + 1
-               end_index = SUM(val_data(2, 1:i))
-               blockdata_length = bdata_lens(order)
-               blockdata_offset = bdata_offsets(order)
-               CALL mp_file_read_at_all(thefile, blockdata_offset, csp(start_index:end_index), &
-                                        msglen=blockdata_length)
-            END IF
-         END DO
-      CASE (dbcsr_type_complex_8)
-         ALLOCATE (cdp(darea_size))
-         DO i = 1, share_size
-            order = val_data(3, i)
-            IF (order .EQ. 0) THEN
-               blockdata_offset = file_size
-               CALL mp_file_read_at_all(thefile, blockdata_offset, cdp_dummy)
-            ELSE
-               start_index = SUM(val_data(2, 1:i - 1)) + 1
-               end_index = SUM(val_data(2, 1:i))
-               blockdata_length = bdata_lens(order)
-               blockdata_offset = bdata_offsets(order)
-               CALL mp_file_read_at_all(thefile, blockdata_offset, cdp(start_index:end_index), &
-                                        msglen=blockdata_length)
-            END IF
-         END DO
-      END SELECT
-      CALL dbcsr_data_init(dblk)
-      CALL dbcsr_data_new(dblk, data_type)
-      IF (ALLOCATED(rdp)) dblk%d%r_dp => rdp
-      IF (ALLOCATED(rsp)) dblk%d%r_sp => rsp
-      IF (ALLOCATED(cdp)) dblk%d%c_dp => cdp
-      IF (ALLOCATED(csp)) dblk%d%c_sp => csp
-
-      CALL mp_file_close(thefile)
-
-      CALL dbcsr_create(matrix_new, matrix_name, distribution, matrix_type, &
-                        row_blk_size, col_blk_size, nze=darea_size, &
-                        data_type=data_type)
-      CALL dbcsr_datablock_redistribute(dblk, row_p, col_i, blk_p, proc_nblks, proc_darea_sizes, matrix_new)
-
-      DEALLOCATE (subh2_offsets, subh3_offsets, bdata_offsets)
-      DEALLOCATE (subh3_disps, bdata_disps)
-      DEALLOCATE (linfo_lens, bdata_lens)
-      DEALLOCATE (val_data, ginfo_vec, linfo_vec)
-      DEALLOCATE (rowp, coli, blkp)
-      IF (ALLOCATED(rdp)) DEALLOCATE (rdp)
-      IF (ALLOCATED(rsp)) DEALLOCATE (rsp)
-      IF (ALLOCATED(cdp)) DEALLOCATE (cdp)
-      IF (ALLOCATED(csp)) DEALLOCATE (csp)
-      CALL dbcsr_data_clear_pointer(dblk)
-      DEALLOCATE (dblk%d)
-
-      CALL timestop(handle)
-   CONTAINS
-      SUBROUTINE cumsum_l(arr, cumsum)
-         INTEGER(kind=file_offset), DIMENSION(:), &
-            INTENT(IN)                                      :: arr
-         INTEGER(kind=file_offset), DIMENSION(SIZE(arr)), &
-            INTENT(OUT)                                     :: cumsum
-
-         INTEGER                                            :: i
-
-         cumsum(1) = arr(1)
-         DO i = 2, SIZE(arr)
-            cumsum(i) = cumsum(i - 1) + arr(i)
-         END DO
-      END SUBROUTINE cumsum_l
+      CHARACTER(len=*), INTENT(IN)                       :: filepath
+      TYPE(dbcsr_distribution_type), INTENT(IN)          :: distribution
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_new
 
+      CALL dbcsr_binary_read_prv(filepath, distribution%prv, matrix_new%prv)
    END SUBROUTINE dbcsr_binary_read
    diff --git a/develop/proc/dbcsr_binary_read~2.html b/develop/proc/dbcsr_binary_read~2.html index ff7f740098e..c6764a4d4b9 100644 --- a/develop/proc/dbcsr_binary_read~2.html +++ b/develop/proc/dbcsr_binary_read~2.html @@ -74,20 +74,20 @@

    dbcsr_binary_read
  • 6 statements + title=" 0.4% of total for procedures.">248 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public subroutine dbcsr_binary_read(filepath, distribution, matrix_new)

    +

    Reads a DBCSR matrix from a file

    Arguments

    @@ -158,7 +159,7 @@

    Arguments

    @@ -168,13 +169,13 @@

    Arguments

    @@ -219,11 +220,327 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_binary_read(filepath, distribution, matrix_new)
-      CHARACTER(len=*), INTENT(IN)                       :: filepath
-      TYPE(dbcsr_distribution_type), INTENT(IN)          :: distribution
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_new
+      !! Reads a DBCSR matrix from a file
+
+      IMPLICIT NONE
+
+      CHARACTER(len=*), INTENT(IN)                :: filepath
+         !! path to the file
+      TYPE(dbcsr_distribution_obj), INTENT(IN)     :: distribution
+         !! row and column distribution
+      TYPE(dbcsr_type), INTENT(INOUT)               :: matrix_new
+         !! DBCSR matrix
+
+      CHARACTER(LEN=*), PARAMETER :: routineN = 'dbcsr_binary_read'
+
+      INTEGER                               :: nblkrows_total, nblkcols_total, &
+                                               nblks, darea_size, data_type, type_size, &
+                                               globalinfo_size, &
+                                               size_of_pgrid, &
+                                               i, j, &
+                                               nblocks, &
+                                               share_size, order, cur_blks, &
+                                               job_count, start_index, end_index, &
+                                               localinfo_length, blockdata_length, &
+                                               worker_id, group_list_size, handle, linfo_length
+      CHARACTER                             :: matrix_type
+      CHARACTER(LEN=default_string_length)  :: matrix_name
+      INTEGER, PARAMETER                    :: version_len = 10
+      CHARACTER(LEN=version_len)            :: version
+      CHARACTER(LEN=80)                     :: matrix_name_v_1_0
+      CHARACTER(LEN=version_len), PARAMETER :: version_v_1_0 = "DBCSRv_1.0"
+      TYPE(mp_comm_type)                    :: group_id
+      TYPE(mp_file_type)                    :: thefile
+
+      INTEGER, DIMENSION(:), POINTER        :: row_p, col_i, blk_p, &
+                                               proc_nblks, proc_darea_sizes
+      INTEGER, DIMENSION(4)                 :: values
+      INTEGER, ALLOCATABLE, DIMENSION(:)    :: linfo_lens, bdata_lens
+      INTEGER, ALLOCATABLE, DIMENSION(:), TARGET     :: ginfo_vec, linfo_vec, &
+                                                        rowp, coli, blkp
+      INTEGER, ALLOCATABLE, DIMENSION(:, :), TARGET   :: val_data
+      INTEGER, DIMENSION(:), POINTER, CONTIGUOUS     :: row_blk_size, col_blk_size
+      TYPE(dbcsr_mp_obj)                             :: mp_env
+      TYPE(dbcsr_data_obj)                           :: dblk
+      REAL(sp)                                       :: rsp_dummy(1)
+      REAL(dp)                                       :: rdp_dummy(1)
+      COMPLEX(sp)                                    :: csp_dummy(1)
+      COMPLEX(dp)                                    :: cdp_dummy(1)
+      REAL(sp), ALLOCATABLE, DIMENSION(:), TARGET     :: rsp
+      REAL(dp), ALLOCATABLE, DIMENSION(:), TARGET     :: rdp
+      COMPLEX(sp), ALLOCATABLE, DIMENSION(:), TARGET  :: csp
+      COMPLEX(dp), ALLOCATABLE, DIMENSION(:), TARGET  :: cdp
+      INTEGER(kind=file_offset), ALLOCATABLE, DIMENSION(:)   :: subh2_offsets, &
+                                                                subh3_disps, subh3_offsets, &
+                                                                bdata_disps, bdata_offsets
+      INTEGER(kind=file_offset), PARAMETER    :: BOF = 0
+      INTEGER(kind=file_offset)               :: offset, subh2_start, subh3_start, bdata_start, file_size, &
+                                                 localinfo_offset, blockdata_offset, sum_nblks, subh3_length, data_area_size
+      INTEGER, PARAMETER                      :: char_count = 1 + version_len + default_string_length
+
+      CALL timeset(routineN, handle)
+
+      mp_env = dbcsr_distribution_mp(distribution)
+      group_id = dbcsr_mp_group(mp_env)
+
+      CALL mp_environ(group_list_size, worker_id, group_id)
+      CALL mp_file_open(group_id, thefile, filepath, file_amode_rdonly)
+
+! read version, matrix name and matrix type
+      CALL mp_file_read_at_all(thefile, BOF, version)
+
+      IF (version /= version_v_1_0) &
+         DBCSR_WARN("Trying to read an unknown version of the matrix data file. Good luck!")
+
+      CALL mp_file_read_at_all(thefile, BOF + version_len*mpi_character_size, matrix_name_v_1_0)
+      matrix_name = matrix_name_v_1_0
+
+      CALL mp_file_read_at_all(thefile, BOF + (version_len + default_string_length)*mpi_character_size, matrix_type)
+! read 4 integer values form sub-header1
+      CALL mp_file_read_at_all(thefile, BOF + char_count*mpi_character_size, values)
+      size_of_pgrid = values(1)
+      data_type = values(2)
+      nblkrows_total = values(3)
+      nblkcols_total = values(4)
+! read 2 vectors, row_blk_size and col_blk_size, from sub-header1
+      globalinfo_size = nblkrows_total + nblkcols_total
+      ALLOCATE (ginfo_vec(globalinfo_size))
+      CALL mp_file_read_at_all(thefile, BOF + char_count*mpi_character_size + 4*mpi_integer_size, ginfo_vec)
+      row_blk_size => ginfo_vec(1:nblkrows_total)
+      col_blk_size => ginfo_vec(nblkrows_total + 1:globalinfo_size)
+
+! compute the offsets where sub-header2 and sub-header3 start
+      subh2_start = (4 + globalinfo_size)*mpi_integer_size + char_count*mpi_character_size
+      subh3_start = subh2_start + 2*size_of_pgrid*mpi_integer_size
+
+! compute the offsets in sub-header2 and read 2 integers nblocks, data_area_size
+      ! number of data chunks from sub-header 2 and 3 to be read by every node rounded up
+      ! to the next integer to make it even for all the nodes in the specified mpi group
+      share_size = CEILING(REAL(size_of_pgrid, KIND=dp)/group_list_size)
+
+      ALLOCATE (subh2_offsets(share_size))
+      subh2_offsets = BOF
+      DO i = 1, share_size
+         offset = subh2_start + mpi_integer_size*2*(worker_id + (i - 1)*group_list_size)
+         IF (offset .GE. subh3_start) EXIT
+         subh2_offsets(i) = offset
+      END DO
+
+      ALLOCATE (val_data(3, share_size))
+      val_data(:, :) = 0
+      DO i = 1, share_size
+         CALL mp_file_read_at_all(thefile, subh2_offsets(i), values, msglen=2)
+         nblocks = values(1)
+         data_area_size = values(2)
+         IF (subh2_offsets(i) .EQ. 0) EXIT
+         val_data(1, i) = nblocks
+         IF (data_area_size >= HUGE(val_data(2, i))) &
+            DBCSR_ABORT("Data area too large, fix code.")
+         val_data(2, i) = INT(data_area_size)
+         val_data(3, i) = worker_id + (i - 1)*group_list_size + 1 ! order
+         ! order = indices of an array of length size_of_pgrid to be accessed by the current node
+      END DO
+      nblks = SUM(val_data(1, :))
+      darea_size = SUM(val_data(2, :))
+      proc_nblks => val_data(1, :) ! to be passed to dbcsr_datablock_redistribute
+      proc_darea_sizes => val_data(2, :) ! to be passed to dbcsr_datablock_redistribute
+
+! compute the offsets in sub-header3 and read 3 vectors row_p, col_i, blk_p
+      ! actual number of chunks to be read by the current node
+      job_count = COUNT(val_data(3, :) .NE. 0)
+      CALL mp_file_get_size(thefile, file_size)
+
+      ALLOCATE (linfo_lens(size_of_pgrid))
+      ALLOCATE (subh3_disps(size_of_pgrid))
+      ALLOCATE (subh3_offsets(size_of_pgrid))
+      linfo_lens = 0; subh3_disps = 0
+      DO i = 1, size_of_pgrid
+         DO j = 1, share_size
+            order = val_data(3, j)
+            IF (i .EQ. order) linfo_lens(order) = &
+               1 + nblkrows_total + 2*val_data(1, j)
+         END DO
+      END DO
+      CALL mp_sum(linfo_lens, group_id)
+      CALL cumsum_l(INT(linfo_lens, kind=file_offset), subh3_disps)
+      subh3_disps(:) = CSHIFT(subh3_disps, shift=-1)
+      subh3_disps(1) = BOF
+      subh3_offsets(:) = subh3_start + subh3_disps*mpi_integer_size
+
+      sum_nblks = INT(nblks, kind=file_offset)
+      CALL mp_sum(sum_nblks, group_id)
+      subh3_length = size_of_pgrid*INT(1 + nblkrows_total, KIND=file_offset) + 2*sum_nblks
+
+      linfo_length = nblkrows_total + 1 + 2*MAXVAL(val_data(1, :))
+
+      ALLOCATE (linfo_vec(linfo_length))
+      ALLOCATE (rowp((nblkrows_total + 1)*job_count))
+      ALLOCATE (coli(nblks))
+      ALLOCATE (blkp(nblks))
+      DO i = 1, share_size
+         order = val_data(3, i)
+         cur_blks = val_data(1, i)
+         IF (order .EQ. 0) THEN
+            localinfo_offset = file_size
+            localinfo_length = 0
+         ELSE
+            localinfo_offset = subh3_offsets(order)
+            localinfo_length = linfo_lens(order)
+         END IF
+         CALL mp_file_read_at_all(thefile, localinfo_offset, linfo_vec, msglen=localinfo_length)
+         IF (localinfo_length .EQ. 0) EXIT
+
+         rowp((i - 1)*(nblkrows_total + 1) + 1:i*(nblkrows_total + 1)) = linfo_vec(1:nblkrows_total + 1)
+         start_index = SUM(val_data(1, 1:i - 1)) + 1
+         end_index = SUM(val_data(1, 1:i))
+         coli(start_index:end_index) = &
+            linfo_vec(nblkrows_total + 2:cur_blks + nblkrows_total + 1)
+         blkp(start_index:end_index) = &
+            linfo_vec(cur_blks + nblkrows_total + 2:2*cur_blks + nblkrows_total + 1)
+      END DO
+      row_p => rowp
+      col_i => coli
+      blk_p => blkp
+
+! compute the offsets and read block data
+      ALLOCATE (bdata_lens(size_of_pgrid))
+      ALLOCATE (bdata_disps(size_of_pgrid))
+      ALLOCATE (bdata_offsets(size_of_pgrid))
+      bdata_lens = 0
+      DO i = 1, size_of_pgrid
+         DO j = 1, share_size
+            order = val_data(3, j)
+            IF (i .EQ. order) bdata_lens(order) = val_data(2, j)
+         END DO
+      END DO
+      CALL mp_sum(bdata_lens, group_id)
+      CALL cumsum_l(INT(bdata_lens, kind=file_offset), bdata_disps)
+      bdata_disps(:) = CSHIFT(bdata_disps, shift=-1)
+      bdata_disps(1) = BOF
+
+      bdata_start = subh3_start + subh3_length*mpi_integer_size
+      SELECT CASE (data_type)
+      CASE (dbcsr_type_real_4)
+         type_size = real_4_size
+      CASE (dbcsr_type_real_8)
+         type_size = real_8_size
+      CASE (dbcsr_type_complex_4)
+         type_size = 2*real_4_size
+      CASE (dbcsr_type_complex_8)
+         type_size = 2*real_8_size
+      END SELECT
+      bdata_offsets(:) = bdata_start + bdata_disps*type_size
+
+      SELECT CASE (data_type)
+      CASE (dbcsr_type_real_4)
+         ALLOCATE (rsp(darea_size))
+         DO i = 1, share_size
+            order = val_data(3, i)
+            ! use dummy one-sized data array as buffer in place of empty array
+            ! when nothing is supposed to be read (order = 0)
+            IF (order .EQ. 0) THEN
+               blockdata_offset = file_size
+               CALL mp_file_read_at_all(thefile, blockdata_offset, rsp_dummy)
+            ELSE
+               start_index = SUM(val_data(2, 1:i - 1)) + 1
+               end_index = SUM(val_data(2, 1:i))
+               blockdata_length = bdata_lens(order)
+               blockdata_offset = bdata_offsets(order)
+               CALL mp_file_read_at_all(thefile, blockdata_offset, rsp(start_index:end_index), &
+                                        msglen=blockdata_length)
+            END IF
+         END DO
+      CASE (dbcsr_type_real_8)
+         ALLOCATE (rdp(darea_size))
+         DO i = 1, share_size
+            order = val_data(3, i)
+            IF (order .EQ. 0) THEN
+               blockdata_offset = file_size
+               CALL mp_file_read_at_all(thefile, blockdata_offset, rdp_dummy)
+            ELSE
+               start_index = SUM(val_data(2, 1:i - 1)) + 1
+               end_index = SUM(val_data(2, 1:i))
+               blockdata_length = bdata_lens(order)
+               blockdata_offset = bdata_offsets(order)
+               CALL mp_file_read_at_all(thefile, blockdata_offset, rdp(start_index:end_index), &
+                                        msglen=blockdata_length)
+            END IF
+         END DO
+      CASE (dbcsr_type_complex_4)
+         ALLOCATE (csp(darea_size))
+         DO i = 1, share_size
+            order = val_data(3, i)
+            IF (order .EQ. 0) THEN
+               blockdata_offset = file_size
+               CALL mp_file_read_at_all(thefile, blockdata_offset, csp_dummy)
+            ELSE
+               start_index = SUM(val_data(2, 1:i - 1)) + 1
+               end_index = SUM(val_data(2, 1:i))
+               blockdata_length = bdata_lens(order)
+               blockdata_offset = bdata_offsets(order)
+               CALL mp_file_read_at_all(thefile, blockdata_offset, csp(start_index:end_index), &
+                                        msglen=blockdata_length)
+            END IF
+         END DO
+      CASE (dbcsr_type_complex_8)
+         ALLOCATE (cdp(darea_size))
+         DO i = 1, share_size
+            order = val_data(3, i)
+            IF (order .EQ. 0) THEN
+               blockdata_offset = file_size
+               CALL mp_file_read_at_all(thefile, blockdata_offset, cdp_dummy)
+            ELSE
+               start_index = SUM(val_data(2, 1:i - 1)) + 1
+               end_index = SUM(val_data(2, 1:i))
+               blockdata_length = bdata_lens(order)
+               blockdata_offset = bdata_offsets(order)
+               CALL mp_file_read_at_all(thefile, blockdata_offset, cdp(start_index:end_index), &
+                                        msglen=blockdata_length)
+            END IF
+         END DO
+      END SELECT
+      CALL dbcsr_data_init(dblk)
+      CALL dbcsr_data_new(dblk, data_type)
+      IF (ALLOCATED(rdp)) dblk%d%r_dp => rdp
+      IF (ALLOCATED(rsp)) dblk%d%r_sp => rsp
+      IF (ALLOCATED(cdp)) dblk%d%c_dp => cdp
+      IF (ALLOCATED(csp)) dblk%d%c_sp => csp
+
+      CALL mp_file_close(thefile)
+
+      CALL dbcsr_create(matrix_new, matrix_name, distribution, matrix_type, &
+                        row_blk_size, col_blk_size, nze=darea_size, &
+                        data_type=data_type)
+      CALL dbcsr_datablock_redistribute(dblk, row_p, col_i, blk_p, proc_nblks, proc_darea_sizes, matrix_new)
+
+      DEALLOCATE (subh2_offsets, subh3_offsets, bdata_offsets)
+      DEALLOCATE (subh3_disps, bdata_disps)
+      DEALLOCATE (linfo_lens, bdata_lens)
+      DEALLOCATE (val_data, ginfo_vec, linfo_vec)
+      DEALLOCATE (rowp, coli, blkp)
+      IF (ALLOCATED(rdp)) DEALLOCATE (rdp)
+      IF (ALLOCATED(rsp)) DEALLOCATE (rsp)
+      IF (ALLOCATED(cdp)) DEALLOCATE (cdp)
+      IF (ALLOCATED(csp)) DEALLOCATE (csp)
+      CALL dbcsr_data_clear_pointer(dblk)
+      DEALLOCATE (dblk%d)
+
+      CALL timestop(handle)
+   CONTAINS
+      SUBROUTINE cumsum_l(arr, cumsum)
+         INTEGER(kind=file_offset), DIMENSION(:), &
+            INTENT(IN)                                      :: arr
+         INTEGER(kind=file_offset), DIMENSION(SIZE(arr)), &
+            INTENT(OUT)                                     :: cumsum
+
+         INTEGER                                            :: i
+
+         cumsum(1) = arr(1)
+         DO i = 2, SIZE(arr)
+            cumsum(i) = cumsum(i - 1) + arr(i)
+         END DO
+      END SUBROUTINE cumsum_l
 
-      CALL dbcsr_binary_read_prv(filepath, distribution%prv, matrix_new%prv)
    END SUBROUTINE dbcsr_binary_read
    diff --git a/develop/proc/dbcsr_binary_write.html b/develop/proc/dbcsr_binary_write.html index 43fe882f6f8..8b86652f5e6 100644 --- a/develop/proc/dbcsr_binary_write.html +++ b/develop/proc/dbcsr_binary_write.html @@ -74,20 +74,20 @@

    dbcsr_binary_write
  • 115 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,22 +143,6 @@

    public subroutine dbcsr_binary_write(matrix, filepath)

    -

    Writes a DBCSR matrix in a file -file's header consists of 3 sub-headers: -sub-header1 contains: -1 string: (of length version_len) the current version of this routine, -1 string: (of length default_string_length) matrix_name, -1 character: matrix_type, -4 integers: numnodes, data_type, nblkrows_total, nblkcols_total, -2 vectors: row_blk_size (length = nblkrows_total), -col_blk_size (length = nblkcols_total), -sub-header2 contains: -2 integers: nblks, data_area_size, -sub-header3 contains: -3 vectors: row_p (length = nblkrows_total+1), -col_i (length = nblks), -blk_p (length = nblks); -and the file's body contains the block data

    Arguments

    @@ -174,22 +158,22 @@

    Arguments

    - + @@ -199,7 +183,7 @@

    Arguments

    @@ -220,182 +204,10 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_binary_write(matrix, filepath)
-      !! Writes a DBCSR matrix in a file
-      !! file's header consists of 3 sub-headers:
-      !! sub-header1 contains:
-      !! 1 string: (of length version_len) the current version of this routine,
-      !! 1 string: (of length default_string_length) matrix_name,
-      !! 1 character: matrix_type,
-      !! 4 integers: numnodes, data_type, nblkrows_total, nblkcols_total,
-      !! 2 vectors:  row_blk_size (length = nblkrows_total),
-      !! col_blk_size (length = nblkcols_total),
-      !! sub-header2 contains:
-      !! 2 integers: nblks, data_area_size,
-      !! sub-header3 contains:
-      !! 3 vectors:  row_p (length = nblkrows_total+1),
-      !! col_i (length = nblks),
-      !! blk_p (length = nblks);
-      !! and the file's body contains the block data
-
-      IMPLICIT NONE
-
-      TYPE(dbcsr_type), INTENT(IN)           :: matrix
-         !! DBCSR matrix
-      CHARACTER(len=*), INTENT(IN)         :: filepath
-         !! path to the file
-
-      CHARACTER(LEN=*), PARAMETER :: routineN = 'dbcsr_binary_write'
-
-      INTEGER                               :: nblkrows_total, nblkcols_total, &
-                                               nblks, size_of_pgrid, &
-                                               i, sendbuf, data_area_size, &
-                                               data_type, type_size, &
-                                               mynode, numnodes, &
-                                               ginfo_size, linfo_size, handle
-      INTEGER, DIMENSION(:), POINTER        :: row_p, col_i, blk_p, &
-                                               row_blk_size, col_blk_size
-      INTEGER, DIMENSION(:, :), POINTER      :: pgrid
-      TYPE(mp_type_descriptor_type)         :: mp_type
-      TYPE(dbcsr_mp_obj)                    :: mp_env
-      TYPE(dbcsr_distribution_obj)          :: distribution
-      TYPE(dbcsr_data_obj)                  :: data_area
-      COMPLEX(sp), DIMENSION(:), POINTER      :: c_sp
-      COMPLEX(dp), DIMENSION(:), POINTER      :: c_dp
-      REAL(sp), DIMENSION(:), POINTER         :: r_sp
-      REAL(dp), DIMENSION(:), POINTER         :: r_dp
-      CHARACTER                             :: matrix_type
-      CHARACTER(LEN=80)                     :: matrix_name_v_1_0
-      CHARACTER(LEN=default_string_length)  :: matrix_name
-      TYPE(mp_comm_type)                    :: mp_group
-      TYPE(mp_file_type)                    :: thefile
-      INTEGER, PARAMETER                    :: version_len = 10
-      CHARACTER(LEN=version_len), PARAMETER :: version = "DBCSRv_1.0"
-      INTEGER, ALLOCATABLE, DIMENSION(:) :: linfo_sizes, da_sizes
-      INTEGER(kind=file_offset), ALLOCATABLE, DIMENSION(:) :: bdata_disps, bdata_offsets, &
-                                                              subh2_disps, subh2_offsets, &
-                                                              subh3_disps, subh3_offsets
-      INTEGER(kind=file_offset), PARAMETER                 :: BOF = 0
-      INTEGER, PARAMETER          :: char_count = version_len + default_string_length + 1 !version, matrix_name, matrix_type
-
-      CALL timeset(routineN, handle)
-
-      IF (default_string_length /= 80) &
-         CALL dbcsr_warn(__LOCATION__, "Changing the default string length affects "// &
-                         "the format of the written matrix. Version needs to be adjusted")
-
-      nblkrows_total = dbcsr_nblkrows_total(matrix)
-      nblkcols_total = dbcsr_nblkcols_total(matrix)
-      distribution = dbcsr_distribution(matrix)
-      matrix_name = dbcsr_name(matrix)
-      data_area = dbcsr_data_area(matrix)
-      matrix_type = dbcsr_get_matrix_type(matrix)
-      data_type = dbcsr_get_data_type(matrix)
-      mp_env = dbcsr_distribution_mp(distribution)
-      mp_group = dbcsr_mp_group(mp_env)
-      nblks = dbcsr_get_num_blocks(matrix)
-      row_p => matrix%row_p
-      col_i => matrix%col_i
-      blk_p => matrix%blk_p
-      row_blk_size => array_data(matrix%row_blk_size)
-      col_blk_size => array_data(matrix%col_blk_size)
-      pgrid => dbcsr_mp_pgrid(mp_env)
-      size_of_pgrid = SIZE(pgrid)
-
-      CALL mp_environ(numnodes, mynode, mp_group)
-
-      ALLOCATE (linfo_sizes(numnodes), da_sizes(numnodes), &
-                subh2_disps(numnodes), subh2_offsets(numnodes), &
-                subh3_disps(numnodes), subh3_offsets(numnodes), &
-                bdata_disps(numnodes), bdata_offsets(numnodes))
-      subh2_disps(:) = (/((i - 1)*2, i=1, numnodes)/)
-      subh3_disps = BOF
-      bdata_disps = BOF
-      linfo_sizes = BOF
-      subh2_offsets = BOF
-      subh3_offsets = BOF
-      bdata_offsets = BOF
-      da_sizes = BOF
-
-      ginfo_size = char_count + 4 + nblkrows_total + nblkcols_total
-      linfo_size = 1 + nblkrows_total + 2*nblks
-
-      sendbuf = linfo_size
-      CALL mp_allgather(sendbuf, linfo_sizes, mp_group)
-      CALL cumsum_l(INT(linfo_sizes, kind=file_offset), subh3_disps)
-      subh3_disps(:) = CSHIFT(subh3_disps, shift=-1) + ginfo_size + 2*numnodes
-      subh3_disps(1) = ginfo_size + 2*numnodes
-
-      data_area_size = dbcsr_data_get_size_referenced(matrix%data_area)
-      sendbuf = data_area_size
-      CALL mp_allgather(sendbuf, da_sizes, mp_group)
-      CALL cumsum_l(INT(da_sizes, kind=file_offset), bdata_disps)
-      bdata_disps(:) = CSHIFT(bdata_disps, shift=-1) + SUM(INT(linfo_sizes, KIND=file_offset)) + &
-                       ginfo_size + numnodes*2
-      bdata_disps(1) = SUM(INT(linfo_sizes, KIND=file_offset)) + ginfo_size + numnodes*2
-
-      CALL mp_file_open(mp_group, thefile, filepath, file_amode_create + file_amode_wronly)
-
-      IF (mynode .EQ. 0) THEN
-         CALL mp_file_write_at(thefile, BOF, version)
-         matrix_name_v_1_0 = matrix_name
-         CALL mp_file_write_at(thefile, BOF + version_len*mpi_character_size, matrix_name_v_1_0)
-         CALL mp_file_write_at(thefile, BOF + (version_len + default_string_length)*mpi_character_size, matrix_type)
-         CALL mp_file_write_at(thefile, BOF + char_count*mpi_character_size, &
-                               (/size_of_pgrid, data_type, &
-                                 nblkrows_total, nblkcols_total, &
-                                 row_blk_size, col_blk_size/))
-      END IF
-! write sub-header2
-      subh2_disps(:) = subh2_disps(:) + ginfo_size
-      subh2_offsets(:) = BOF + (subh2_disps - char_count)*mpi_integer_size + &
-                         char_count*mpi_character_size
-      CALL mp_file_write_at_all(thefile, subh2_offsets(mynode + 1), (/nblks, data_area_size/))
-! write sub-header3
-      subh3_offsets(:) = BOF + (subh3_disps - char_count)*mpi_integer_size + &
-                         char_count*mpi_character_size
-      CALL mp_file_write_at_all(thefile, subh3_offsets(mynode + 1), (/row_p, col_i, blk_p/))
-! write block data
-      mp_type = dbcsr_mp_type_from_anytype(data_area)
-      CALL mp_type_size(mp_type, type_size)
-      bdata_offsets(:) = BOF + (/((bdata_disps(i) - bdata_disps(1))*type_size, i=1, numnodes)/) + &
-                         (bdata_disps(1) - char_count)*mpi_integer_size + &
-                         char_count*mpi_character_size
-      SELECT CASE (data_type)
-      CASE (dbcsr_type_real_4)
-         r_sp => data_area%d%r_sp
-         CALL mp_file_write_at_all(thefile, bdata_offsets(mynode + 1), r_sp, msglen=data_area_size)
-      CASE (dbcsr_type_real_8)
-         r_dp => data_area%d%r_dp
-         CALL mp_file_write_at_all(thefile, bdata_offsets(mynode + 1), r_dp, msglen=data_area_size)
-      CASE (dbcsr_type_complex_4)
-         c_sp => data_area%d%c_sp
-         CALL mp_file_write_at_all(thefile, bdata_offsets(mynode + 1), c_sp, msglen=data_area_size)
-      CASE (dbcsr_type_complex_8)
-         c_dp => data_area%d%c_dp
-         CALL mp_file_write_at_all(thefile, bdata_offsets(mynode + 1), c_dp, msglen=data_area_size)
-      END SELECT
-      CALL mp_file_close(thefile)
-
-      DEALLOCATE (linfo_sizes, da_sizes)
-      DEALLOCATE (subh2_disps, subh2_offsets, subh3_disps, subh3_offsets)
-      DEALLOCATE (bdata_disps, bdata_offsets)
-
-      CALL timestop(handle)
-
-   CONTAINS
-      SUBROUTINE cumsum_l(arr, cumsum)
-         INTEGER(kind=file_offset), DIMENSION(:), &
-            INTENT(IN)                                      :: arr
-         INTEGER(kind=file_offset), DIMENSION(SIZE(arr)), &
-            INTENT(OUT)                                     :: cumsum
-
-         INTEGER                                            :: i
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
+      CHARACTER(LEN=*), INTENT(IN)                       :: filepath
 
-         cumsum(1) = arr(1)
-         DO i = 2, SIZE(arr)
-            cumsum(i) = cumsum(i - 1) + arr(i)
-         END DO
-      END SUBROUTINE cumsum_l
+      CALL dbcsr_binary_write_prv(matrix%prv, filepath)
    END SUBROUTINE dbcsr_binary_write
    diff --git a/develop/proc/dbcsr_binary_write~2.html b/develop/proc/dbcsr_binary_write~2.html index aba13b0163b..04099bd63d9 100644 --- a/develop/proc/dbcsr_binary_write~2.html +++ b/develop/proc/dbcsr_binary_write~2.html @@ -74,20 +74,20 @@

    dbcsr_binary_write
  • 5 statements + title=" 0.2% of total for procedures.">115 statements
  • - Source File + Source File
    • @@ -143,6 +143,22 @@

    public subroutine dbcsr_binary_write(matrix, filepath)

    +

    Writes a DBCSR matrix in a file +file's header consists of 3 sub-headers: +sub-header1 contains: +1 string: (of length version_len) the current version of this routine, +1 string: (of length default_string_length) matrix_name, +1 character: matrix_type, +4 integers: numnodes, data_type, nblkrows_total, nblkcols_total, +2 vectors: row_blk_size (length = nblkrows_total), +col_blk_size (length = nblkcols_total), +sub-header2 contains: +2 integers: nblks, data_area_size, +sub-header3 contains: +3 vectors: row_p (length = nblkrows_total+1), +col_i (length = nblks), +blk_p (length = nblks); +and the file's body contains the block data

    Arguments

    @@ -158,22 +174,22 @@

    Arguments

    - + @@ -183,7 +199,7 @@

    Arguments

    @@ -204,10 +220,182 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_binary_write(matrix, filepath)
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-      CHARACTER(LEN=*), INTENT(IN)                       :: filepath
+      !! Writes a DBCSR matrix in a file
+      !! file's header consists of 3 sub-headers:
+      !! sub-header1 contains:
+      !! 1 string: (of length version_len) the current version of this routine,
+      !! 1 string: (of length default_string_length) matrix_name,
+      !! 1 character: matrix_type,
+      !! 4 integers: numnodes, data_type, nblkrows_total, nblkcols_total,
+      !! 2 vectors:  row_blk_size (length = nblkrows_total),
+      !! col_blk_size (length = nblkcols_total),
+      !! sub-header2 contains:
+      !! 2 integers: nblks, data_area_size,
+      !! sub-header3 contains:
+      !! 3 vectors:  row_p (length = nblkrows_total+1),
+      !! col_i (length = nblks),
+      !! blk_p (length = nblks);
+      !! and the file's body contains the block data
+
+      IMPLICIT NONE
+
+      TYPE(dbcsr_type), INTENT(IN)           :: matrix
+         !! DBCSR matrix
+      CHARACTER(len=*), INTENT(IN)         :: filepath
+         !! path to the file
+
+      CHARACTER(LEN=*), PARAMETER :: routineN = 'dbcsr_binary_write'
+
+      INTEGER                               :: nblkrows_total, nblkcols_total, &
+                                               nblks, size_of_pgrid, &
+                                               i, sendbuf, data_area_size, &
+                                               data_type, type_size, &
+                                               mynode, numnodes, &
+                                               ginfo_size, linfo_size, handle
+      INTEGER, DIMENSION(:), POINTER        :: row_p, col_i, blk_p, &
+                                               row_blk_size, col_blk_size
+      INTEGER, DIMENSION(:, :), POINTER      :: pgrid
+      TYPE(mp_type_descriptor_type)         :: mp_type
+      TYPE(dbcsr_mp_obj)                    :: mp_env
+      TYPE(dbcsr_distribution_obj)          :: distribution
+      TYPE(dbcsr_data_obj)                  :: data_area
+      COMPLEX(sp), DIMENSION(:), POINTER      :: c_sp
+      COMPLEX(dp), DIMENSION(:), POINTER      :: c_dp
+      REAL(sp), DIMENSION(:), POINTER         :: r_sp
+      REAL(dp), DIMENSION(:), POINTER         :: r_dp
+      CHARACTER                             :: matrix_type
+      CHARACTER(LEN=80)                     :: matrix_name_v_1_0
+      CHARACTER(LEN=default_string_length)  :: matrix_name
+      TYPE(mp_comm_type)                    :: mp_group
+      TYPE(mp_file_type)                    :: thefile
+      INTEGER, PARAMETER                    :: version_len = 10
+      CHARACTER(LEN=version_len), PARAMETER :: version = "DBCSRv_1.0"
+      INTEGER, ALLOCATABLE, DIMENSION(:) :: linfo_sizes, da_sizes
+      INTEGER(kind=file_offset), ALLOCATABLE, DIMENSION(:) :: bdata_disps, bdata_offsets, &
+                                                              subh2_disps, subh2_offsets, &
+                                                              subh3_disps, subh3_offsets
+      INTEGER(kind=file_offset), PARAMETER                 :: BOF = 0
+      INTEGER, PARAMETER          :: char_count = version_len + default_string_length + 1 !version, matrix_name, matrix_type
+
+      CALL timeset(routineN, handle)
+
+      IF (default_string_length /= 80) &
+         CALL dbcsr_warn(__LOCATION__, "Changing the default string length affects "// &
+                         "the format of the written matrix. Version needs to be adjusted")
+
+      nblkrows_total = dbcsr_nblkrows_total(matrix)
+      nblkcols_total = dbcsr_nblkcols_total(matrix)
+      distribution = dbcsr_distribution(matrix)
+      matrix_name = dbcsr_name(matrix)
+      data_area = dbcsr_data_area(matrix)
+      matrix_type = dbcsr_get_matrix_type(matrix)
+      data_type = dbcsr_get_data_type(matrix)
+      mp_env = dbcsr_distribution_mp(distribution)
+      mp_group = dbcsr_mp_group(mp_env)
+      nblks = dbcsr_get_num_blocks(matrix)
+      row_p => matrix%row_p
+      col_i => matrix%col_i
+      blk_p => matrix%blk_p
+      row_blk_size => array_data(matrix%row_blk_size)
+      col_blk_size => array_data(matrix%col_blk_size)
+      pgrid => dbcsr_mp_pgrid(mp_env)
+      size_of_pgrid = SIZE(pgrid)
+
+      CALL mp_environ(numnodes, mynode, mp_group)
+
+      ALLOCATE (linfo_sizes(numnodes), da_sizes(numnodes), &
+                subh2_disps(numnodes), subh2_offsets(numnodes), &
+                subh3_disps(numnodes), subh3_offsets(numnodes), &
+                bdata_disps(numnodes), bdata_offsets(numnodes))
+      subh2_disps(:) = (/((i - 1)*2, i=1, numnodes)/)
+      subh3_disps = BOF
+      bdata_disps = BOF
+      linfo_sizes = BOF
+      subh2_offsets = BOF
+      subh3_offsets = BOF
+      bdata_offsets = BOF
+      da_sizes = BOF
+
+      ginfo_size = char_count + 4 + nblkrows_total + nblkcols_total
+      linfo_size = 1 + nblkrows_total + 2*nblks
+
+      sendbuf = linfo_size
+      CALL mp_allgather(sendbuf, linfo_sizes, mp_group)
+      CALL cumsum_l(INT(linfo_sizes, kind=file_offset), subh3_disps)
+      subh3_disps(:) = CSHIFT(subh3_disps, shift=-1) + ginfo_size + 2*numnodes
+      subh3_disps(1) = ginfo_size + 2*numnodes
+
+      data_area_size = dbcsr_data_get_size_referenced(matrix%data_area)
+      sendbuf = data_area_size
+      CALL mp_allgather(sendbuf, da_sizes, mp_group)
+      CALL cumsum_l(INT(da_sizes, kind=file_offset), bdata_disps)
+      bdata_disps(:) = CSHIFT(bdata_disps, shift=-1) + SUM(INT(linfo_sizes, KIND=file_offset)) + &
+                       ginfo_size + numnodes*2
+      bdata_disps(1) = SUM(INT(linfo_sizes, KIND=file_offset)) + ginfo_size + numnodes*2
+
+      CALL mp_file_open(mp_group, thefile, filepath, file_amode_create + file_amode_wronly)
+
+      IF (mynode .EQ. 0) THEN
+         CALL mp_file_write_at(thefile, BOF, version)
+         matrix_name_v_1_0 = matrix_name
+         CALL mp_file_write_at(thefile, BOF + version_len*mpi_character_size, matrix_name_v_1_0)
+         CALL mp_file_write_at(thefile, BOF + (version_len + default_string_length)*mpi_character_size, matrix_type)
+         CALL mp_file_write_at(thefile, BOF + char_count*mpi_character_size, &
+                               (/size_of_pgrid, data_type, &
+                                 nblkrows_total, nblkcols_total, &
+                                 row_blk_size, col_blk_size/))
+      END IF
+! write sub-header2
+      subh2_disps(:) = subh2_disps(:) + ginfo_size
+      subh2_offsets(:) = BOF + (subh2_disps - char_count)*mpi_integer_size + &
+                         char_count*mpi_character_size
+      CALL mp_file_write_at_all(thefile, subh2_offsets(mynode + 1), (/nblks, data_area_size/))
+! write sub-header3
+      subh3_offsets(:) = BOF + (subh3_disps - char_count)*mpi_integer_size + &
+                         char_count*mpi_character_size
+      CALL mp_file_write_at_all(thefile, subh3_offsets(mynode + 1), (/row_p, col_i, blk_p/))
+! write block data
+      mp_type = dbcsr_mp_type_from_anytype(data_area)
+      CALL mp_type_size(mp_type, type_size)
+      bdata_offsets(:) = BOF + (/((bdata_disps(i) - bdata_disps(1))*type_size, i=1, numnodes)/) + &
+                         (bdata_disps(1) - char_count)*mpi_integer_size + &
+                         char_count*mpi_character_size
+      SELECT CASE (data_type)
+      CASE (dbcsr_type_real_4)
+         r_sp => data_area%d%r_sp
+         CALL mp_file_write_at_all(thefile, bdata_offsets(mynode + 1), r_sp, msglen=data_area_size)
+      CASE (dbcsr_type_real_8)
+         r_dp => data_area%d%r_dp
+         CALL mp_file_write_at_all(thefile, bdata_offsets(mynode + 1), r_dp, msglen=data_area_size)
+      CASE (dbcsr_type_complex_4)
+         c_sp => data_area%d%c_sp
+         CALL mp_file_write_at_all(thefile, bdata_offsets(mynode + 1), c_sp, msglen=data_area_size)
+      CASE (dbcsr_type_complex_8)
+         c_dp => data_area%d%c_dp
+         CALL mp_file_write_at_all(thefile, bdata_offsets(mynode + 1), c_dp, msglen=data_area_size)
+      END SELECT
+      CALL mp_file_close(thefile)
+
+      DEALLOCATE (linfo_sizes, da_sizes)
+      DEALLOCATE (subh2_disps, subh2_offsets, subh3_disps, subh3_offsets)
+      DEALLOCATE (bdata_disps, bdata_offsets)
+
+      CALL timestop(handle)
+
+   CONTAINS
+      SUBROUTINE cumsum_l(arr, cumsum)
+         INTEGER(kind=file_offset), DIMENSION(:), &
+            INTENT(IN)                                      :: arr
+         INTEGER(kind=file_offset), DIMENSION(SIZE(arr)), &
+            INTENT(OUT)                                     :: cumsum
+
+         INTEGER                                            :: i
 
-      CALL dbcsr_binary_write_prv(matrix%prv, filepath)
+         cumsum(1) = arr(1)
+         DO i = 2, SIZE(arr)
+            cumsum(i) = cumsum(i - 1) + arr(i)
+         END DO
+      END SUBROUTINE cumsum_l
    END SUBROUTINE dbcsr_binary_write
    diff --git a/develop/proc/dbcsr_blk_col_offset.html b/develop/proc/dbcsr_blk_col_offset.html index f972cdec24b..67ef6a3d203 100644 --- a/develop/proc/dbcsr_blk_col_offset.html +++ b/develop/proc/dbcsr_blk_col_offset.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_blk_column_size.html b/develop/proc/dbcsr_blk_column_size.html index 7ca2fb968a8..0c4d5a760fe 100644 --- a/develop/proc/dbcsr_blk_column_size.html +++ b/develop/proc/dbcsr_blk_column_size.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_blk_row_offset.html b/develop/proc/dbcsr_blk_row_offset.html index 0984d514b2b..53816753398 100644 --- a/develop/proc/dbcsr_blk_row_offset.html +++ b/develop/proc/dbcsr_blk_row_offset.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_blk_row_size.html b/develop/proc/dbcsr_blk_row_size.html index 171b744379a..24a0c6b611a 100644 --- a/develop/proc/dbcsr_blk_row_size.html +++ b/develop/proc/dbcsr_blk_row_size.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_block_conjg.html b/develop/proc/dbcsr_block_conjg.html index 3b48611cbef..bfb00b5039f 100644 --- a/develop/proc/dbcsr_block_conjg.html +++ b/develop/proc/dbcsr_block_conjg.html @@ -163,7 +163,7 @@

    Arguments

    @@ -178,7 +178,7 @@

    Arguments

    @@ -194,7 +194,7 @@

    Arguments

    @@ -210,7 +210,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_block_copy_aa.html b/develop/proc/dbcsr_block_copy_aa.html index 26a11bceb4f..01b2ff79e82 100644 --- a/develop/proc/dbcsr_block_copy_aa.html +++ b/develop/proc/dbcsr_block_copy_aa.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

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    Arguments

    diff --git a/develop/proc/dbcsr_block_in_limits.html b/develop/proc/dbcsr_block_in_limits.html index cae1ab0573a..a880d42780a 100644 --- a/develop/proc/dbcsr_block_in_limits.html +++ b/develop/proc/dbcsr_block_in_limits.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_block_partial_copy.html b/develop/proc/dbcsr_block_partial_copy.html index 2b1f8166177..ab86b5e58a3 100644 --- a/develop/proc/dbcsr_block_partial_copy.html +++ b/develop/proc/dbcsr_block_partial_copy.html @@ -159,7 +159,7 @@

    Arguments

    @@ -221,7 +221,7 @@

    Arguments

    @@ -363,7 +363,7 @@

    Arguments

    @@ -383,7 +383,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_block_real_neg.html b/develop/proc/dbcsr_block_real_neg.html index 31523328081..4c0524c5344 100644 --- a/develop/proc/dbcsr_block_real_neg.html +++ b/develop/proc/dbcsr_block_real_neg.html @@ -163,7 +163,7 @@

    Arguments

    @@ -178,7 +178,7 @@

    Arguments

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    Arguments

    @@ -210,7 +210,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_block_scale.html b/develop/proc/dbcsr_block_scale.html index dac4b09d2a9..a61dc76faf2 100644 --- a/develop/proc/dbcsr_block_scale.html +++ b/develop/proc/dbcsr_block_scale.html @@ -163,7 +163,7 @@

    Arguments

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    @@ -225,7 +225,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_block_transpose_a.html b/develop/proc/dbcsr_block_transpose_a.html index 7d959457e2a..d98c0dfaade 100644 --- a/develop/proc/dbcsr_block_transpose_a.html +++ b/develop/proc/dbcsr_block_transpose_a.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_block_transpose_aa.html b/develop/proc/dbcsr_block_transpose_aa.html index 37a78f6d0c0..5a22dbd284e 100644 --- a/develop/proc/dbcsr_block_transpose_aa.html +++ b/develop/proc/dbcsr_block_transpose_aa.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

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    @@ -206,7 +206,7 @@

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    @@ -222,7 +222,7 @@

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    @@ -254,7 +254,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_build_row_index_copy.html b/develop/proc/dbcsr_build_row_index_copy.html index d7b45f8dcb7..d0e1cacb3f8 100644 --- a/develop/proc/dbcsr_build_row_index_copy.html +++ b/develop/proc/dbcsr_build_row_index_copy.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_build_row_index_inplace.html b/develop/proc/dbcsr_build_row_index_inplace.html index f3f9b9bda58..eed5a8f94f1 100644 --- a/develop/proc/dbcsr_build_row_index_inplace.html +++ b/develop/proc/dbcsr_build_row_index_inplace.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_checksum.html b/develop/proc/dbcsr_checksum.html index d3cbfe9b19e..5b3fb88b3b8 100644 --- a/develop/proc/dbcsr_checksum.html +++ b/develop/proc/dbcsr_checksum.html @@ -158,7 +158,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_checksum~2.html b/develop/proc/dbcsr_checksum~2.html index f6f231aa4b5..2f8cb085445 100644 --- a/develop/proc/dbcsr_checksum~2.html +++ b/develop/proc/dbcsr_checksum~2.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_clear.html b/develop/proc/dbcsr_clear.html index cd543214994..0e3268759a7 100644 --- a/develop/proc/dbcsr_clear.html +++ b/develop/proc/dbcsr_clear.html @@ -74,20 +74,20 @@

    dbcsr_clear
  • 7 statements + title=" 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -133,11 +133,11 @@

    Contents

    -

    public subroutine dbcsr_clear(matrix) +

    public subroutine dbcsr_clear(dbcsr_mat)

    -

    Clear a matrix (remove all blocks)

    +

    Clear a matrix

    Arguments

    @@ -153,15 +153,15 @@

    Arguments

    - + diff --git a/develop/proc/dbcsr_clearfrom_index_array.html b/develop/proc/dbcsr_clearfrom_index_array.html index e619f762e3f..870b3d4feee 100644 --- a/develop/proc/dbcsr_clearfrom_index_array.html +++ b/develop/proc/dbcsr_clearfrom_index_array.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_clear~2.html b/develop/proc/dbcsr_clear~2.html index 2b8aee616ec..be765dbf5e5 100644 --- a/develop/proc/dbcsr_clear~2.html +++ b/develop/proc/dbcsr_clear~2.html @@ -74,20 +74,20 @@

    dbcsr_clear
  • 4 statements + title=" 0.0% of total for procedures.">7 statements
  • - Source File + Source File
    • @@ -133,11 +133,11 @@

    Contents

    -

    public subroutine dbcsr_clear(dbcsr_mat) +

    public subroutine dbcsr_clear(matrix)

    -

    Clear a matrix

    +

    Clear a matrix (remove all blocks)

    Arguments

    @@ -153,15 +153,15 @@

    Arguments

    - + diff --git a/develop/proc/dbcsr_col_block_offsets.html b/develop/proc/dbcsr_col_block_offsets.html index 1a822285ee6..5eb1c4f8cb6 100644 --- a/develop/proc/dbcsr_col_block_offsets.html +++ b/develop/proc/dbcsr_col_block_offsets.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_col_block_sizes.html b/develop/proc/dbcsr_col_block_sizes.html index a70b3e559bf..dc2c42d0dd1 100644 --- a/develop/proc/dbcsr_col_block_sizes.html +++ b/develop/proc/dbcsr_col_block_sizes.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer, DIMENSION(:), POINTER, CONTIGUOUS

    diff --git a/develop/proc/dbcsr_complete_redistribute.html b/develop/proc/dbcsr_complete_redistribute.html index e3e92adb040..4379625ade7 100644 --- a/develop/proc/dbcsr_complete_redistribute.html +++ b/develop/proc/dbcsr_complete_redistribute.html @@ -162,7 +162,7 @@

    Arguments

    @@ -192,7 +192,7 @@

    Arguments

    @@ -208,7 +208,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_complete_redistribute~2.html b/develop/proc/dbcsr_complete_redistribute~2.html index 7d82063843e..5208d4a7924 100644 --- a/develop/proc/dbcsr_complete_redistribute~2.html +++ b/develop/proc/dbcsr_complete_redistribute~2.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_conjg.html b/develop/proc/dbcsr_conjg.html index 13313806756..b4cbf9ac8a1 100644 --- a/develop/proc/dbcsr_conjg.html +++ b/develop/proc/dbcsr_conjg.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_convert_csr_to_dbcsr.html b/develop/proc/dbcsr_convert_csr_to_dbcsr.html index e171f029cb1..a7926cff1ff 100644 --- a/develop/proc/dbcsr_convert_csr_to_dbcsr.html +++ b/develop/proc/dbcsr_convert_csr_to_dbcsr.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_convert_dbcsr_to_csr.html b/develop/proc/dbcsr_convert_dbcsr_to_csr.html index e3c18137966..50a7567df12 100644 --- a/develop/proc/dbcsr_convert_dbcsr_to_csr.html +++ b/develop/proc/dbcsr_convert_dbcsr_to_csr.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_copy.html b/develop/proc/dbcsr_copy.html index 9f392cede17..b6340a14d4c 100644 --- a/develop/proc/dbcsr_copy.html +++ b/develop/proc/dbcsr_copy.html @@ -74,20 +74,20 @@

    dbcsr_copy
  • 62 statements + title=" 0.0% of total for procedures.">8 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public subroutine dbcsr_copy(matrix_b, matrix_a, name, keep_sparsity, shall

    -

    copy a matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -199,12 +198,12 @@

    Arguments

    @@ -214,10 +213,7 @@

    Arguments

    @@ -232,10 +228,7 @@

    Arguments

    @@ -250,15 +243,12 @@

    Arguments

    @@ -268,7 +258,7 @@

    Arguments

    @@ -290,105 +280,15 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_copy(matrix_b, matrix_a, name, keep_sparsity, &
                          shallow_data, keep_imaginary, matrix_type)
-      !! copy a matrix
-
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_b
-         !! target DBCSR matrix
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a
-         !! source DBCSR matrix
       CHARACTER(LEN=*), INTENT(IN), OPTIONAL             :: name
-         !! name of the new matrix
       LOGICAL, INTENT(IN), OPTIONAL                      :: keep_sparsity, shallow_data, &
                                                             keep_imaginary
-         !! keep the target matrix sparsity; default is False.
-         !! shallow data copy
-         !! when copy from complex to real,& the default is to keep only the real part; if this flag is set, the imaginary part is
-         !! used
       CHARACTER, INTENT(IN), OPTIONAL                    :: matrix_type
-         !! 'N' for normal, 'T' for transposed, 'S' for symmetric, and 'A' for antisymmetric
-
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_copy'
-      CHARACTER                                          :: new_matrix_type, repl_type
-      INTEGER                                            :: handle, new_type
-      LOGICAL                                            :: keep_sparse, shallow
-
-!   ---------------------------------------------------------------------------
-
-      CALL timeset(routineN, handle)
-      IF (.NOT. symmetry_consistent(dbcsr_get_matrix_type(matrix_a), dbcsr_get_data_type(matrix_a))) &
-         DBCSR_ABORT("Source matrix symmetry not consistent with its data type.")
-      shallow = .FALSE.; IF (PRESENT(shallow_data)) shallow = shallow_data
-      keep_sparse = .FALSE.
-      IF (PRESENT(keep_sparsity)) keep_sparse = keep_sparsity
-      IF (keep_sparse .AND. .NOT. dbcsr_valid_index(matrix_b)) &
-         DBCSR_ABORT("Target matrix must be valid to keep its sparsity")
-      IF (keep_sparse .AND. shallow) &
-         DBCSR_WARN("Shallow copy not compatibly with sparsity retainment")
-      IF (keep_sparse) THEN
-         IF (PRESENT(name)) matrix_b%name = name
-         CALL dbcsr_copy_into_existing(matrix_b, matrix_a)
-      ELSE
-         IF (dbcsr_valid_index(matrix_b)) THEN
-            new_type = dbcsr_get_data_type(matrix_b)
-            repl_type = dbcsr_get_replication_type(matrix_b)
-         ELSE
-            new_type = dbcsr_get_data_type(matrix_a)
-            repl_type = dbcsr_get_replication_type(matrix_a)
-         END IF
-         new_matrix_type = dbcsr_get_matrix_type(matrix_a)
-         IF (PRESENT(matrix_type)) THEN
-            IF (.NOT. symmetry_compatible(dbcsr_get_matrix_type(matrix_a), matrix_type)) &
-               CALL dbcsr_abort(__LOCATION__, "Specified target matrix symmetry "//matrix_type// &
-                                " not compatible with source matrix type "//dbcsr_get_matrix_type(matrix_a))
-            new_matrix_type = matrix_type
-         END IF
-         IF (.NOT. symmetry_consistent(new_matrix_type, new_type)) &
-            CALL dbcsr_abort(__LOCATION__, "Target matrix symmetry "// &
-                             new_matrix_type//" not consistent with its data type.")
-         IF (PRESENT(name)) THEN
-            CALL dbcsr_create(matrix_b, name=TRIM(name), &
-                              template=matrix_a, &
-                              matrix_type=new_matrix_type, &
-                              data_type=new_type)
-         ELSE
-            CALL dbcsr_create(matrix_b, &
-                              data_type=new_type, &
-                              matrix_type=new_matrix_type, &
-                              template=matrix_a)
-         END IF
-         CALL ensure_array_size(matrix_b%index, ub=SIZE(matrix_a%index), &
-                                memory_type=dbcsr_get_index_memory_type(matrix_b))
-         !
-         ! copy index and data
-         matrix_b%index(1:SIZE(matrix_a%index)) = matrix_a%index(:)
-         IF (.NOT. shallow) THEN
-            IF (matrix_a%nze > dbcsr_get_data_size(matrix_a)) &
-               DBCSR_ABORT("Source matrix sizes not consistent!")
-            CALL dbcsr_data_ensure_size(matrix_b%data_area, &
-                                        dbcsr_data_get_size_referenced(matrix_a%data_area))
-            IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_get_data_type(matrix_b)) &
-               THEN
-               CALL dbcsr_data_copyall(matrix_b%data_area, &
-                                       matrix_a%data_area)
-            ELSE
-               CALL dbcsr_data_convert(matrix_b%data_area, &
-                                       matrix_a%data_area, drop_real=keep_imaginary)
-            END IF
-         ELSE
-            IF (dbcsr_get_data_type(matrix_a) .NE. dbcsr_get_data_type(matrix_b)) &
-               DBCSR_ABORT("Shallow copy only possible when retaining data type.")
-            CALL dbcsr_switch_data_area(matrix_b, matrix_a%data_area)
-         END IF
-         !
-         ! the row_p, col_i and blk_p ...
-         CALL dbcsr_repoint_index(matrix_b)
-         matrix_b%nze = matrix_a%nze
-         matrix_b%nblks = matrix_b%nblks
-         matrix_b%valid = .TRUE.
 
-         matrix_b%sparsity_id = matrix_a%sparsity_id
-      END IF
-      CALL timestop(handle)
+      CALL dbcsr_copy_prv(matrix_b%prv, matrix_a%prv, name, keep_sparsity, &
+                          shallow_data, keep_imaginary, matrix_type)
    END SUBROUTINE dbcsr_copy
    diff --git a/develop/proc/dbcsr_copy_into_existing.html b/develop/proc/dbcsr_copy_into_existing.html index 756c302b231..3140fbcfa4d 100644 --- a/develop/proc/dbcsr_copy_into_existing.html +++ b/develop/proc/dbcsr_copy_into_existing.html @@ -74,20 +74,20 @@

    dbcsr_copy_into_existing
  • 67 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public subroutine dbcsr_copy_into_existing(matrix_b, matrix_a)

    -

    copy a matrix, retaining current sparsity

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -205,104 +204,10 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_copy_into_existing(matrix_b, matrix_a)
-      !! copy a matrix, retaining current sparsity
-
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_b
-         !! target DBCSR matrix
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a
-         !! source DBCSR matrix
-
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_copy_into_existing'
-
-      INTEGER                                            :: col_size, data_type, dst_col, dst_row, &
-                                                            handle, rel, row_size, src_col, &
-                                                            src_cs, src_row, src_rs
-      LOGICAL                                            :: dst_tr, making_symmetric, neg_imag, &
-                                                            neg_real, src_tr
-      TYPE(dbcsr_data_obj)                               :: dst_data, src_data
-      TYPE(dbcsr_iterator)                               :: dst_iter, src_iter
-
-!   ---------------------------------------------------------------------------
-
-      CALL timeset(routineN, handle)
-      IF (.NOT. dbcsr_valid_index(matrix_b)) &
-         DBCSR_ABORT("Matrix_b is not valid")
-      IF (dbcsr_get_data_type(matrix_b) .NE. dbcsr_get_data_type(matrix_a)) &
-         DBCSR_ABORT("Matrices have different data types.")
-      data_type = dbcsr_get_data_type(matrix_b)
-      neg_real = matrix_b%negate_real
-      neg_imag = matrix_b%negate_imaginary
-      making_symmetric = dbcsr_has_symmetry(matrix_b) &
-                         .AND. .NOT. dbcsr_has_symmetry(matrix_a)
-      IF (making_symmetric) THEN
-         CALL dbcsr_copy_into_existing_sym(matrix_b, matrix_a)
-         CALL timestop(handle)
-         RETURN
-      END IF
-      CALL dbcsr_data_init(src_data)
-      CALL dbcsr_data_init(dst_data)
-      CALL dbcsr_data_new(src_data, data_type)
-      CALL dbcsr_data_new(dst_data, data_type)
-      CALL dbcsr_iterator_start(src_iter, matrix_a)
-      CALL dbcsr_iterator_start(dst_iter, matrix_b)
-      ! Iterate through the blocks of the source and destination
-      ! matrix. There are three possibilities: 1. copy the data for
-      ! blocks present in both; 2 skip source blocks not present in the
-      ! target; 3 zero blocks not present in the source.
-      IF (dbcsr_iterator_blocks_left(src_iter)) THEN
-         CALL dbcsr_iterator_next_block(src_iter, src_row, src_col, src_data, &
-                                        src_tr)
-      ELSE
-         src_row = 0; src_col = 0
-      END IF
-      DO WHILE (dbcsr_iterator_blocks_left(dst_iter))
-         CALL dbcsr_iterator_next_block(dst_iter, dst_row, dst_col, dst_data, &
-                                        dst_tr, row_size=row_size, col_size=col_size)
-         ! Now find the source position that is greater or equal to the
-         ! target one. I.e, skip blocks that the target doesn't have.
-         rel = pos_relation(dst_row, dst_col, src_row, src_col)
-         DO WHILE (rel .EQ. 1 .AND. dbcsr_iterator_blocks_left(src_iter))
-            CALL dbcsr_iterator_next_block(src_iter, src_row, src_col, &
-                                           src_data, src_tr, row_size=src_rs, col_size=src_cs)
-            rel = pos_relation(dst_row, dst_col, src_row, src_col)
-         END DO
-         SELECT CASE (rel)
-         CASE (-1, 1)
-            ! Target lags source or ran out of source
-            CALL dbcsr_data_clear(dst_data)
-         CASE (0)
-            ! Copy the data
-            IF (dbcsr_data_get_size(src_data) .NE. dbcsr_data_get_size(dst_data)) &
-               DBCSR_ABORT("Block sizes not equal!")
-            IF (src_tr .EQV. dst_tr) THEN
-               CALL dbcsr_data_copyall(dst_data, src_data)
-            ELSE
-               CALL dbcsr_block_partial_copy(dst=dst_data, dst_tr=dst_tr, &
-                                             dst_rs=row_size, dst_cs=col_size, &
-                                             dst_r_lb=1, dst_c_lb=1, &
-                                             src=src_data, src_tr=src_tr, &
-                                             src_rs=src_rs, src_cs=src_cs, &
-                                             src_r_lb=1, src_c_lb=1, &
-                                             nrow=row_size, ncol=col_size)
-               IF (neg_real) THEN
-                  CALL dbcsr_block_real_neg(dst_data, row_size, col_size)
-               END IF
-               IF (neg_imag) THEN
-                  CALL dbcsr_block_conjg(dst_data, row_size, col_size)
-               END IF
-            END IF
-         CASE default
-            DBCSR_ABORT("Trouble syncing iterators")
-         END SELECT
-      END DO
-      CALL dbcsr_iterator_stop(src_iter)
-      CALL dbcsr_iterator_stop(dst_iter)
-      CALL dbcsr_data_clear_pointer(src_data)
-      CALL dbcsr_data_clear_pointer(dst_data)
-      CALL dbcsr_data_release(src_data)
-      CALL dbcsr_data_release(dst_data)
-      CALL timestop(handle)
 
+      CALL dbcsr_copy_into_existing_prv(matrix_b%prv, matrix_a%prv)
    END SUBROUTINE dbcsr_copy_into_existing
    diff --git a/develop/proc/dbcsr_copy_into_existing_sym.html b/develop/proc/dbcsr_copy_into_existing_sym.html index f4fc10b6edc..e14970c20e1 100644 --- a/develop/proc/dbcsr_copy_into_existing_sym.html +++ b/develop/proc/dbcsr_copy_into_existing_sym.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_copy_into_existing~2.html b/develop/proc/dbcsr_copy_into_existing~2.html index d8089ebf3c5..14e8e745989 100644 --- a/develop/proc/dbcsr_copy_into_existing~2.html +++ b/develop/proc/dbcsr_copy_into_existing~2.html @@ -74,20 +74,20 @@

    dbcsr_copy_into_existing
  • 5 statements + title=" 0.1% of total for procedures.">67 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public subroutine dbcsr_copy_into_existing(matrix_b, matrix_a)

    +

    copy a matrix, retaining current sparsity

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -204,10 +205,104 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_copy_into_existing(matrix_b, matrix_a)
+      !! copy a matrix, retaining current sparsity
+
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_b
+         !! target DBCSR matrix
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a
+         !! source DBCSR matrix
+
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_copy_into_existing'
+
+      INTEGER                                            :: col_size, data_type, dst_col, dst_row, &
+                                                            handle, rel, row_size, src_col, &
+                                                            src_cs, src_row, src_rs
+      LOGICAL                                            :: dst_tr, making_symmetric, neg_imag, &
+                                                            neg_real, src_tr
+      TYPE(dbcsr_data_obj)                               :: dst_data, src_data
+      TYPE(dbcsr_iterator)                               :: dst_iter, src_iter
+
+!   ---------------------------------------------------------------------------
+
+      CALL timeset(routineN, handle)
+      IF (.NOT. dbcsr_valid_index(matrix_b)) &
+         DBCSR_ABORT("Matrix_b is not valid")
+      IF (dbcsr_get_data_type(matrix_b) .NE. dbcsr_get_data_type(matrix_a)) &
+         DBCSR_ABORT("Matrices have different data types.")
+      data_type = dbcsr_get_data_type(matrix_b)
+      neg_real = matrix_b%negate_real
+      neg_imag = matrix_b%negate_imaginary
+      making_symmetric = dbcsr_has_symmetry(matrix_b) &
+                         .AND. .NOT. dbcsr_has_symmetry(matrix_a)
+      IF (making_symmetric) THEN
+         CALL dbcsr_copy_into_existing_sym(matrix_b, matrix_a)
+         CALL timestop(handle)
+         RETURN
+      END IF
+      CALL dbcsr_data_init(src_data)
+      CALL dbcsr_data_init(dst_data)
+      CALL dbcsr_data_new(src_data, data_type)
+      CALL dbcsr_data_new(dst_data, data_type)
+      CALL dbcsr_iterator_start(src_iter, matrix_a)
+      CALL dbcsr_iterator_start(dst_iter, matrix_b)
+      ! Iterate through the blocks of the source and destination
+      ! matrix. There are three possibilities: 1. copy the data for
+      ! blocks present in both; 2 skip source blocks not present in the
+      ! target; 3 zero blocks not present in the source.
+      IF (dbcsr_iterator_blocks_left(src_iter)) THEN
+         CALL dbcsr_iterator_next_block(src_iter, src_row, src_col, src_data, &
+                                        src_tr)
+      ELSE
+         src_row = 0; src_col = 0
+      END IF
+      DO WHILE (dbcsr_iterator_blocks_left(dst_iter))
+         CALL dbcsr_iterator_next_block(dst_iter, dst_row, dst_col, dst_data, &
+                                        dst_tr, row_size=row_size, col_size=col_size)
+         ! Now find the source position that is greater or equal to the
+         ! target one. I.e, skip blocks that the target doesn't have.
+         rel = pos_relation(dst_row, dst_col, src_row, src_col)
+         DO WHILE (rel .EQ. 1 .AND. dbcsr_iterator_blocks_left(src_iter))
+            CALL dbcsr_iterator_next_block(src_iter, src_row, src_col, &
+                                           src_data, src_tr, row_size=src_rs, col_size=src_cs)
+            rel = pos_relation(dst_row, dst_col, src_row, src_col)
+         END DO
+         SELECT CASE (rel)
+         CASE (-1, 1)
+            ! Target lags source or ran out of source
+            CALL dbcsr_data_clear(dst_data)
+         CASE (0)
+            ! Copy the data
+            IF (dbcsr_data_get_size(src_data) .NE. dbcsr_data_get_size(dst_data)) &
+               DBCSR_ABORT("Block sizes not equal!")
+            IF (src_tr .EQV. dst_tr) THEN
+               CALL dbcsr_data_copyall(dst_data, src_data)
+            ELSE
+               CALL dbcsr_block_partial_copy(dst=dst_data, dst_tr=dst_tr, &
+                                             dst_rs=row_size, dst_cs=col_size, &
+                                             dst_r_lb=1, dst_c_lb=1, &
+                                             src=src_data, src_tr=src_tr, &
+                                             src_rs=src_rs, src_cs=src_cs, &
+                                             src_r_lb=1, src_c_lb=1, &
+                                             nrow=row_size, ncol=col_size)
+               IF (neg_real) THEN
+                  CALL dbcsr_block_real_neg(dst_data, row_size, col_size)
+               END IF
+               IF (neg_imag) THEN
+                  CALL dbcsr_block_conjg(dst_data, row_size, col_size)
+               END IF
+            END IF
+         CASE default
+            DBCSR_ABORT("Trouble syncing iterators")
+         END SELECT
+      END DO
+      CALL dbcsr_iterator_stop(src_iter)
+      CALL dbcsr_iterator_stop(dst_iter)
+      CALL dbcsr_data_clear_pointer(src_data)
+      CALL dbcsr_data_clear_pointer(dst_data)
+      CALL dbcsr_data_release(src_data)
+      CALL dbcsr_data_release(dst_data)
+      CALL timestop(handle)
 
-      CALL dbcsr_copy_into_existing_prv(matrix_b%prv, matrix_a%prv)
    END SUBROUTINE dbcsr_copy_into_existing
    diff --git a/develop/proc/dbcsr_copy_sort_data.html b/develop/proc/dbcsr_copy_sort_data.html index 8d4b6f7e2a4..5fc7ce2bcd7 100644 --- a/develop/proc/dbcsr_copy_sort_data.html +++ b/develop/proc/dbcsr_copy_sort_data.html @@ -161,7 +161,7 @@

    Arguments

    @@ -195,7 +195,7 @@

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    @@ -214,7 +214,7 @@

    Arguments

    @@ -271,7 +271,7 @@

    Arguments

    @@ -286,7 +286,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_copy_submatrix.html b/develop/proc/dbcsr_copy_submatrix.html index e83c1bef1ed..47aa416bcf5 100644 --- a/develop/proc/dbcsr_copy_submatrix.html +++ b/develop/proc/dbcsr_copy_submatrix.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -236,7 +236,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_copy~2.html b/develop/proc/dbcsr_copy~2.html index 4c86db28c73..240c246af4c 100644 --- a/develop/proc/dbcsr_copy~2.html +++ b/develop/proc/dbcsr_copy~2.html @@ -74,20 +74,20 @@

    dbcsr_copy
  • 8 statements + title=" 0.1% of total for procedures.">62 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public subroutine dbcsr_copy(matrix_b, matrix_a, name, keep_sparsity, shall

    +

    copy a matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -198,12 +199,12 @@

    Arguments

    @@ -213,12 +214,15 @@

    Arguments

    @@ -228,7 +232,10 @@

    Arguments

    @@ -243,12 +250,15 @@

    Arguments

    @@ -258,7 +268,7 @@

    Arguments

    @@ -280,15 +290,105 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_copy(matrix_b, matrix_a, name, keep_sparsity, &
                          shallow_data, keep_imaginary, matrix_type)
+      !! copy a matrix
+
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_b
+         !! target DBCSR matrix
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a
+         !! source DBCSR matrix
       CHARACTER(LEN=*), INTENT(IN), OPTIONAL             :: name
+         !! name of the new matrix
       LOGICAL, INTENT(IN), OPTIONAL                      :: keep_sparsity, shallow_data, &
                                                             keep_imaginary
+         !! keep the target matrix sparsity; default is False.
+         !! shallow data copy
+         !! when copy from complex to real,& the default is to keep only the real part; if this flag is set, the imaginary part is
+         !! used
       CHARACTER, INTENT(IN), OPTIONAL                    :: matrix_type
+         !! 'N' for normal, 'T' for transposed, 'S' for symmetric, and 'A' for antisymmetric
+
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_copy'
+      CHARACTER                                          :: new_matrix_type, repl_type
+      INTEGER                                            :: handle, new_type
+      LOGICAL                                            :: keep_sparse, shallow
+
+!   ---------------------------------------------------------------------------
+
+      CALL timeset(routineN, handle)
+      IF (.NOT. symmetry_consistent(dbcsr_get_matrix_type(matrix_a), dbcsr_get_data_type(matrix_a))) &
+         DBCSR_ABORT("Source matrix symmetry not consistent with its data type.")
+      shallow = .FALSE.; IF (PRESENT(shallow_data)) shallow = shallow_data
+      keep_sparse = .FALSE.
+      IF (PRESENT(keep_sparsity)) keep_sparse = keep_sparsity
+      IF (keep_sparse .AND. .NOT. dbcsr_valid_index(matrix_b)) &
+         DBCSR_ABORT("Target matrix must be valid to keep its sparsity")
+      IF (keep_sparse .AND. shallow) &
+         DBCSR_WARN("Shallow copy not compatibly with sparsity retainment")
+      IF (keep_sparse) THEN
+         IF (PRESENT(name)) matrix_b%name = name
+         CALL dbcsr_copy_into_existing(matrix_b, matrix_a)
+      ELSE
+         IF (dbcsr_valid_index(matrix_b)) THEN
+            new_type = dbcsr_get_data_type(matrix_b)
+            repl_type = dbcsr_get_replication_type(matrix_b)
+         ELSE
+            new_type = dbcsr_get_data_type(matrix_a)
+            repl_type = dbcsr_get_replication_type(matrix_a)
+         END IF
+         new_matrix_type = dbcsr_get_matrix_type(matrix_a)
+         IF (PRESENT(matrix_type)) THEN
+            IF (.NOT. symmetry_compatible(dbcsr_get_matrix_type(matrix_a), matrix_type)) &
+               CALL dbcsr_abort(__LOCATION__, "Specified target matrix symmetry "//matrix_type// &
+                                " not compatible with source matrix type "//dbcsr_get_matrix_type(matrix_a))
+            new_matrix_type = matrix_type
+         END IF
+         IF (.NOT. symmetry_consistent(new_matrix_type, new_type)) &
+            CALL dbcsr_abort(__LOCATION__, "Target matrix symmetry "// &
+                             new_matrix_type//" not consistent with its data type.")
+         IF (PRESENT(name)) THEN
+            CALL dbcsr_create(matrix_b, name=TRIM(name), &
+                              template=matrix_a, &
+                              matrix_type=new_matrix_type, &
+                              data_type=new_type)
+         ELSE
+            CALL dbcsr_create(matrix_b, &
+                              data_type=new_type, &
+                              matrix_type=new_matrix_type, &
+                              template=matrix_a)
+         END IF
+         CALL ensure_array_size(matrix_b%index, ub=SIZE(matrix_a%index), &
+                                memory_type=dbcsr_get_index_memory_type(matrix_b))
+         !
+         ! copy index and data
+         matrix_b%index(1:SIZE(matrix_a%index)) = matrix_a%index(:)
+         IF (.NOT. shallow) THEN
+            IF (matrix_a%nze > dbcsr_get_data_size(matrix_a)) &
+               DBCSR_ABORT("Source matrix sizes not consistent!")
+            CALL dbcsr_data_ensure_size(matrix_b%data_area, &
+                                        dbcsr_data_get_size_referenced(matrix_a%data_area))
+            IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_get_data_type(matrix_b)) &
+               THEN
+               CALL dbcsr_data_copyall(matrix_b%data_area, &
+                                       matrix_a%data_area)
+            ELSE
+               CALL dbcsr_data_convert(matrix_b%data_area, &
+                                       matrix_a%data_area, drop_real=keep_imaginary)
+            END IF
+         ELSE
+            IF (dbcsr_get_data_type(matrix_a) .NE. dbcsr_get_data_type(matrix_b)) &
+               DBCSR_ABORT("Shallow copy only possible when retaining data type.")
+            CALL dbcsr_switch_data_area(matrix_b, matrix_a%data_area)
+         END IF
+         !
+         ! the row_p, col_i and blk_p ...
+         CALL dbcsr_repoint_index(matrix_b)
+         matrix_b%nze = matrix_a%nze
+         matrix_b%nblks = matrix_b%nblks
+         matrix_b%valid = .TRUE.
 
-      CALL dbcsr_copy_prv(matrix_b%prv, matrix_a%prv, name, keep_sparsity, &
-                          shallow_data, keep_imaginary, matrix_type)
+         matrix_b%sparsity_id = matrix_a%sparsity_id
+      END IF
+      CALL timestop(handle)
    END SUBROUTINE dbcsr_copy
    diff --git a/develop/proc/dbcsr_count_row_index_copy.html b/develop/proc/dbcsr_count_row_index_copy.html index 9483d46e6fd..6833a68b3a7 100644 --- a/develop/proc/dbcsr_count_row_index_copy.html +++ b/develop/proc/dbcsr_count_row_index_copy.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_count_row_index_inplace.html b/develop/proc/dbcsr_count_row_index_inplace.html index 51431e16560..64306a7741d 100644 --- a/develop/proc/dbcsr_count_row_index_inplace.html +++ b/develop/proc/dbcsr_count_row_index_inplace.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_create_brd.html b/develop/proc/dbcsr_create_brd.html index bb0413d31c1..9e037dca149 100644 --- a/develop/proc/dbcsr_create_brd.html +++ b/develop/proc/dbcsr_create_brd.html @@ -221,7 +221,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_create_image_dist.html b/develop/proc/dbcsr_create_image_dist.html index 0f963ebdba6..4162b8b8687 100644 --- a/develop/proc/dbcsr_create_image_dist.html +++ b/develop/proc/dbcsr_create_image_dist.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr_create_new.html b/develop/proc/dbcsr_create_new.html index e9ef0c3453f..4f91f51a159 100644 --- a/develop/proc/dbcsr_create_new.html +++ b/develop/proc/dbcsr_create_new.html @@ -158,7 +158,7 @@

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    diff --git a/develop/proc/dbcsr_create_template.html b/develop/proc/dbcsr_create_template.html index 0c4130c8393..b0415c8a7b6 100644 --- a/develop/proc/dbcsr_create_template.html +++ b/develop/proc/dbcsr_create_template.html @@ -158,7 +158,7 @@

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    diff --git a/develop/proc/dbcsr_crop_matrix.html b/develop/proc/dbcsr_crop_matrix.html index 7421feb8041..1e30260b51b 100644 --- a/develop/proc/dbcsr_crop_matrix.html +++ b/develop/proc/dbcsr_crop_matrix.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr_csr_create_from_dbcsr.html b/develop/proc/dbcsr_csr_create_from_dbcsr.html index bdf64a40698..4e66dbc28f5 100644 --- a/develop/proc/dbcsr_csr_create_from_dbcsr.html +++ b/develop/proc/dbcsr_csr_create_from_dbcsr.html @@ -158,7 +158,7 @@

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    diff --git a/develop/proc/dbcsr_data_area.html b/develop/proc/dbcsr_data_area.html index b653a9c6c85..336d4117926 100644 --- a/develop/proc/dbcsr_data_area.html +++ b/develop/proc/dbcsr_data_area.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + type(dbcsr_data_obj)

    diff --git a/develop/proc/dbcsr_data_clear0.html b/develop/proc/dbcsr_data_clear0.html index 5880574d247..068e5ddb29d 100644 --- a/develop/proc/dbcsr_data_clear0.html +++ b/develop/proc/dbcsr_data_clear0.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    @@ -206,7 +206,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_clear_nt.html b/develop/proc/dbcsr_data_clear_nt.html index 7f6d6e36a42..66ed30426c7 100644 --- a/develop/proc/dbcsr_data_clear_nt.html +++ b/develop/proc/dbcsr_data_clear_nt.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -249,7 +249,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_copy_aa.html b/develop/proc/dbcsr_data_copy_aa.html index c22cbfa5a32..40ecb8ae575 100644 --- a/develop/proc/dbcsr_data_copy_aa.html +++ b/develop/proc/dbcsr_data_copy_aa.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    @@ -207,7 +207,7 @@

    Arguments

    @@ -237,7 +237,7 @@

    Arguments

    @@ -269,7 +269,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_copy_aa2.html b/develop/proc/dbcsr_data_copy_aa2.html index b28536f8797..0e7af8874bc 100644 --- a/develop/proc/dbcsr_data_copy_aa2.html +++ b/develop/proc/dbcsr_data_copy_aa2.html @@ -160,7 +160,7 @@

    Arguments

    @@ -207,7 +207,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_copyall.html b/develop/proc/dbcsr_data_copyall.html index 0304a39ed33..555bb449d95 100644 --- a/develop/proc/dbcsr_data_copyall.html +++ b/develop/proc/dbcsr_data_copyall.html @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_dev2host.html b/develop/proc/dbcsr_data_dev2host.html index b589c8c4953..5226ad063de 100644 --- a/develop/proc/dbcsr_data_dev2host.html +++ b/develop/proc/dbcsr_data_dev2host.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_ensure_size.html b/develop/proc/dbcsr_data_ensure_size.html index e9ae978f135..8eee7bcc5ce 100644 --- a/develop/proc/dbcsr_data_ensure_size.html +++ b/develop/proc/dbcsr_data_ensure_size.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    @@ -206,7 +206,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_exists.html b/develop/proc/dbcsr_data_exists.html index f6725036b85..544f68a07ab 100644 --- a/develop/proc/dbcsr_data_exists.html +++ b/develop/proc/dbcsr_data_exists.html @@ -177,7 +177,7 @@

    Arguments

    Return Value - + logical

    diff --git a/develop/proc/dbcsr_data_get_memory_type.html b/develop/proc/dbcsr_data_get_memory_type.html index 0c921ce068e..4148cb9a268 100644 --- a/develop/proc/dbcsr_data_get_memory_type.html +++ b/develop/proc/dbcsr_data_get_memory_type.html @@ -176,7 +176,7 @@

    Arguments

    Return Value - + type(dbcsr_memtype_type)

    diff --git a/develop/proc/dbcsr_data_get_size.html b/develop/proc/dbcsr_data_get_size.html index 8173c512e0f..f5825467b56 100644 --- a/develop/proc/dbcsr_data_get_size.html +++ b/develop/proc/dbcsr_data_get_size.html @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_data_get_sizes_1.html b/develop/proc/dbcsr_data_get_sizes_1.html index 4cce72c46d2..7079a5d5b62 100644 --- a/develop/proc/dbcsr_data_get_sizes_1.html +++ b/develop/proc/dbcsr_data_get_sizes_1.html @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_get_sizes_2.html b/develop/proc/dbcsr_data_get_sizes_2.html index 0f8344ebb2d..d8466d9b980 100644 --- a/develop/proc/dbcsr_data_get_sizes_2.html +++ b/develop/proc/dbcsr_data_get_sizes_2.html @@ -174,7 +174,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    @@ -206,7 +206,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_get_sizes_any.html b/develop/proc/dbcsr_data_get_sizes_any.html index 95c4144043e..18700e73631 100644 --- a/develop/proc/dbcsr_data_get_sizes_any.html +++ b/develop/proc/dbcsr_data_get_sizes_any.html @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_get_type.html b/develop/proc/dbcsr_data_get_type.html index 1fab884ac80..194cb21e18d 100644 --- a/develop/proc/dbcsr_data_get_type.html +++ b/develop/proc/dbcsr_data_get_type.html @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_data_host2dev.html b/develop/proc/dbcsr_data_host2dev.html index 9cfc405f06b..236551248ec 100644 --- a/develop/proc/dbcsr_data_host2dev.html +++ b/develop/proc/dbcsr_data_host2dev.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_new.html b/develop/proc/dbcsr_data_new.html index 4691a67d517..9972a8aeb47 100644 --- a/develop/proc/dbcsr_data_new.html +++ b/develop/proc/dbcsr_data_new.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -205,7 +205,7 @@

    Arguments

    @@ -221,7 +221,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_release.html b/develop/proc/dbcsr_data_release.html index 9d735280ffe..ac70646e9a8 100644 --- a/develop/proc/dbcsr_data_release.html +++ b/develop/proc/dbcsr_data_release.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_set_ac.html b/develop/proc/dbcsr_data_set_ac.html index 6a3d3486710..721b7f214f7 100644 --- a/develop/proc/dbcsr_data_set_ac.html +++ b/develop/proc/dbcsr_data_set_ac.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    @@ -207,7 +207,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_set_ad.html b/develop/proc/dbcsr_data_set_ad.html index 7f032f0d34c..3b0bd505018 100644 --- a/develop/proc/dbcsr_data_set_ad.html +++ b/develop/proc/dbcsr_data_set_ad.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    @@ -207,7 +207,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_set_as.html b/develop/proc/dbcsr_data_set_as.html index b5af3278e8d..1c834e7302d 100644 --- a/develop/proc/dbcsr_data_set_as.html +++ b/develop/proc/dbcsr_data_set_as.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    @@ -207,7 +207,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_set_az.html b/develop/proc/dbcsr_data_set_az.html index 5d59a13b59b..f73431bb387 100644 --- a/develop/proc/dbcsr_data_set_az.html +++ b/develop/proc/dbcsr_data_set_az.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    @@ -207,7 +207,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_set_size_referenced.html b/develop/proc/dbcsr_data_set_size_referenced.html index e279ed2a8dc..8589d2283c3 100644 --- a/develop/proc/dbcsr_data_set_size_referenced.html +++ b/develop/proc/dbcsr_data_set_size_referenced.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_valid.html b/develop/proc/dbcsr_data_valid.html index cc963a31485..ce0855ef05b 100644 --- a/develop/proc/dbcsr_data_valid.html +++ b/develop/proc/dbcsr_data_valid.html @@ -177,7 +177,7 @@

    Arguments

    Return Value - + logical

    diff --git a/develop/proc/dbcsr_data_verify_bounds.html b/develop/proc/dbcsr_data_verify_bounds.html index 1746f26122c..92a150a3f43 100644 --- a/develop/proc/dbcsr_data_verify_bounds.html +++ b/develop/proc/dbcsr_data_verify_bounds.html @@ -174,7 +174,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_data_zero.html b/develop/proc/dbcsr_data_zero.html index 9f3174e2b58..5d9c80274df 100644 --- a/develop/proc/dbcsr_data_zero.html +++ b/develop/proc/dbcsr_data_zero.html @@ -178,7 +178,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_datablock_redistribute.html b/develop/proc/dbcsr_datablock_redistribute.html index 768bb6b218a..8c23f3bf856 100644 --- a/develop/proc/dbcsr_datablock_redistribute.html +++ b/develop/proc/dbcsr_datablock_redistribute.html @@ -176,7 +176,7 @@

    Arguments

    @@ -197,7 +197,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_datatype_sizeof.html b/develop/proc/dbcsr_datatype_sizeof.html index 7fdccdc5255..0e27c023dd9 100644 --- a/develop/proc/dbcsr_datatype_sizeof.html +++ b/develop/proc/dbcsr_datatype_sizeof.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_deallocate_matrix.html b/develop/proc/dbcsr_deallocate_matrix.html index 955c029c48d..24cbdf7d189 100644 --- a/develop/proc/dbcsr_deallocate_matrix.html +++ b/develop/proc/dbcsr_deallocate_matrix.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_default_logger_stack_size.html b/develop/proc/dbcsr_default_logger_stack_size.html index 363c4076ce4..5a3ee078dd6 100644 --- a/develop/proc/dbcsr_default_logger_stack_size.html +++ b/develop/proc/dbcsr_default_logger_stack_size.html @@ -150,7 +150,7 @@

    Arguments


    Return Value - + integer

    diff --git a/develop/proc/dbcsr_destroy.html b/develop/proc/dbcsr_destroy.html index b19a398e88e..06c35ffc839 100644 --- a/develop/proc/dbcsr_destroy.html +++ b/develop/proc/dbcsr_destroy.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_destroy_image_dist.html b/develop/proc/dbcsr_destroy_image_dist.html index 99d19d4ac96..22c0741a287 100644 --- a/develop/proc/dbcsr_destroy_image_dist.html +++ b/develop/proc/dbcsr_destroy_image_dist.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_desymmetrize.html b/develop/proc/dbcsr_desymmetrize.html index 25418a9012b..278047153fa 100644 --- a/develop/proc/dbcsr_desymmetrize.html +++ b/develop/proc/dbcsr_desymmetrize.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_desymmetrize_deep.html b/develop/proc/dbcsr_desymmetrize_deep.html index ec917a2d1e5..8e5fddc2e03 100644 --- a/develop/proc/dbcsr_desymmetrize_deep.html +++ b/develop/proc/dbcsr_desymmetrize_deep.html @@ -161,7 +161,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_dist_bin.html b/develop/proc/dbcsr_dist_bin.html index 52a015c0014..4dba08cff43 100644 --- a/develop/proc/dbcsr_dist_bin.html +++ b/develop/proc/dbcsr_dist_bin.html @@ -190,7 +190,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_dist_release_locals.html b/develop/proc/dbcsr_dist_release_locals.html index 8bfc03d51ac..b180fb7dffd 100644 --- a/develop/proc/dbcsr_dist_release_locals.html +++ b/develop/proc/dbcsr_dist_release_locals.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribute.html b/develop/proc/dbcsr_distribute.html index 3bcc10c4393..0e09964d36e 100644 --- a/develop/proc/dbcsr_distribute.html +++ b/develop/proc/dbcsr_distribute.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribute~2.html b/develop/proc/dbcsr_distribute~2.html index d8614a2db1d..2ef36b92047 100644 --- a/develop/proc/dbcsr_distribute~2.html +++ b/develop/proc/dbcsr_distribute~2.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribution.html b/develop/proc/dbcsr_distribution.html index ce033333c9d..f6d3d669786 100644 --- a/develop/proc/dbcsr_distribution.html +++ b/develop/proc/dbcsr_distribution.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribution_col_dist.html b/develop/proc/dbcsr_distribution_col_dist.html index 9e13ce7d417..4fdd3f96b8b 100644 --- a/develop/proc/dbcsr_distribution_col_dist.html +++ b/develop/proc/dbcsr_distribution_col_dist.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer, DIMENSION(:), POINTER, CONTIGUOUS

    diff --git a/develop/proc/dbcsr_distribution_get.html b/develop/proc/dbcsr_distribution_get.html index dd167829315..de8678690b1 100644 --- a/develop/proc/dbcsr_distribution_get.html +++ b/develop/proc/dbcsr_distribution_get.html @@ -74,20 +74,20 @@

    dbcsr_distribution_get
  • 27 statements + title=" 0.0% of total for procedures.">15 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public subroutine dbcsr_distribution_get(dist, row_dist, col_dist, nrows, n

    -

    Get distribution parameters

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -189,7 +188,7 @@

    Arguments

    @@ -204,7 +203,7 @@

    Arguments

    @@ -219,7 +218,7 @@

    Arguments

    @@ -249,8 +248,8 @@

    Arguments

    @@ -279,7 +278,7 @@

    Arguments

    @@ -294,7 +293,7 @@

    Arguments

    @@ -309,7 +308,7 @@

    Arguments

    @@ -324,7 +323,7 @@

    Arguments

    @@ -339,7 +338,7 @@

    Arguments

    @@ -354,7 +353,7 @@

    Arguments

    @@ -369,7 +368,7 @@

    Arguments

    @@ -384,8 +383,8 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -210,7 +210,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribution_get~2.html b/develop/proc/dbcsr_distribution_get~2.html index b6b08587c39..d7293912766 100644 --- a/develop/proc/dbcsr_distribution_get~2.html +++ b/develop/proc/dbcsr_distribution_get~2.html @@ -74,20 +74,20 @@

    dbcsr_distribution_get
  • 15 statements + title=" 0.0% of total for procedures.">27 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public subroutine dbcsr_distribution_get(dist, row_dist, col_dist, nrows, n

    +

    Get distribution parameters

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -218,7 +219,7 @@

    Arguments

    @@ -248,8 +249,8 @@

    Arguments

    @@ -278,7 +279,7 @@

    Arguments

    @@ -323,7 +324,7 @@

    Arguments

    @@ -338,7 +339,7 @@

    Arguments

    @@ -353,7 +354,7 @@

    Arguments

    @@ -384,7 +385,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + logical

    diff --git a/develop/proc/dbcsr_distribution_hold.html b/develop/proc/dbcsr_distribution_hold.html index 1ae4406a001..da841ad73d6 100644 --- a/develop/proc/dbcsr_distribution_hold.html +++ b/develop/proc/dbcsr_distribution_hold.html @@ -79,15 +79,15 @@

    dbcsr_distribution_hold
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public subroutine dbcsr_distribution_hold(dist)

    -

    Marks another use of the distribution

    Arguments

    @@ -159,10 +158,10 @@

    Arguments

    - + @@ -190,13 +189,9 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_distribution_hold(dist)
-      !! Marks another use of the distribution
-      TYPE(dbcsr_distribution_obj), INTENT(INOUT)        :: dist
+      TYPE(dbcsr_distribution_type)                      :: dist
 
-!   ---------------------------------------------------------------------------
-
-!$OMP ATOMIC
-      dist%d%refcount = dist%d%refcount + 1
+      CALL dbcsr_distribution_hold_prv(dist%prv)
    END SUBROUTINE dbcsr_distribution_hold
    diff --git a/develop/proc/dbcsr_distribution_hold~2.html b/develop/proc/dbcsr_distribution_hold~2.html index 536122610c9..7a9e62bd70a 100644 --- a/develop/proc/dbcsr_distribution_hold~2.html +++ b/develop/proc/dbcsr_distribution_hold~2.html @@ -79,15 +79,15 @@

    dbcsr_distribution_hold
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public subroutine dbcsr_distribution_hold(dist)

    +

    Marks another use of the distribution

    Arguments

    @@ -158,10 +159,10 @@

    Arguments

    - + @@ -189,9 +190,13 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_distribution_hold(dist)
-      TYPE(dbcsr_distribution_type)                      :: dist
+      !! Marks another use of the distribution
+      TYPE(dbcsr_distribution_obj), INTENT(INOUT)        :: dist
 
-      CALL dbcsr_distribution_hold_prv(dist%prv)
+!   ---------------------------------------------------------------------------
+
+!$OMP ATOMIC
+      dist%d%refcount = dist%d%refcount + 1
    END SUBROUTINE dbcsr_distribution_hold
    diff --git a/develop/proc/dbcsr_distribution_local_cols.html b/develop/proc/dbcsr_distribution_local_cols.html index c9d2098000e..907fb1c7609 100644 --- a/develop/proc/dbcsr_distribution_local_cols.html +++ b/develop/proc/dbcsr_distribution_local_cols.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer, DIMENSION(:), POINTER, CONTIGUOUS

    diff --git a/develop/proc/dbcsr_distribution_local_cols_obj.html b/develop/proc/dbcsr_distribution_local_cols_obj.html index 8a381483ebb..aaba8efc767 100644 --- a/develop/proc/dbcsr_distribution_local_cols_obj.html +++ b/develop/proc/dbcsr_distribution_local_cols_obj.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + type(array_i1d_obj)

    diff --git a/develop/proc/dbcsr_distribution_local_rows.html b/develop/proc/dbcsr_distribution_local_rows.html index b32ad6c2d80..05fe4a46007 100644 --- a/develop/proc/dbcsr_distribution_local_rows.html +++ b/develop/proc/dbcsr_distribution_local_rows.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer, DIMENSION(:), POINTER, CONTIGUOUS

    diff --git a/develop/proc/dbcsr_distribution_local_rows_obj.html b/develop/proc/dbcsr_distribution_local_rows_obj.html index c0ec8b1bd91..ea36a5bc2d0 100644 --- a/develop/proc/dbcsr_distribution_local_rows_obj.html +++ b/develop/proc/dbcsr_distribution_local_rows_obj.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + type(array_i1d_obj)

    diff --git a/develop/proc/dbcsr_distribution_make_threads.html b/develop/proc/dbcsr_distribution_make_threads.html index 02dbaf796f8..763ae45ebeb 100644 --- a/develop/proc/dbcsr_distribution_make_threads.html +++ b/develop/proc/dbcsr_distribution_make_threads.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribution_max_col_dist.html b/develop/proc/dbcsr_distribution_max_col_dist.html index b536aa8928a..cff47e58ec9 100644 --- a/develop/proc/dbcsr_distribution_max_col_dist.html +++ b/develop/proc/dbcsr_distribution_max_col_dist.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_distribution_max_row_dist.html b/develop/proc/dbcsr_distribution_max_row_dist.html index ad36806bb9a..4ed97243b1a 100644 --- a/develop/proc/dbcsr_distribution_max_row_dist.html +++ b/develop/proc/dbcsr_distribution_max_row_dist.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_distribution_mp.html b/develop/proc/dbcsr_distribution_mp.html index a0ee57105c6..3f4fa4bb9d8 100644 --- a/develop/proc/dbcsr_distribution_mp.html +++ b/develop/proc/dbcsr_distribution_mp.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + type(dbcsr_mp_obj)

    diff --git a/develop/proc/dbcsr_distribution_ncols.html b/develop/proc/dbcsr_distribution_ncols.html index c3252e94749..34ac9d886a5 100644 --- a/develop/proc/dbcsr_distribution_ncols.html +++ b/develop/proc/dbcsr_distribution_ncols.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_distribution_new.html b/develop/proc/dbcsr_distribution_new.html index 7461339e45a..3681766eb70 100644 --- a/develop/proc/dbcsr_distribution_new.html +++ b/develop/proc/dbcsr_distribution_new.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -249,7 +249,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribution_new_low.html b/develop/proc/dbcsr_distribution_new_low.html index 1c23d270da0..85150956fb6 100644 --- a/develop/proc/dbcsr_distribution_new_low.html +++ b/develop/proc/dbcsr_distribution_new_low.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -249,7 +249,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribution_new_obj.html b/develop/proc/dbcsr_distribution_new_obj.html index 0ba1e0face1..99824ca22a7 100644 --- a/develop/proc/dbcsr_distribution_new_obj.html +++ b/develop/proc/dbcsr_distribution_new_obj.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    @@ -205,7 +205,7 @@

    Arguments

    @@ -220,7 +220,7 @@

    Arguments

    @@ -235,7 +235,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribution_new_template.html b/develop/proc/dbcsr_distribution_new_template.html index c2ce0d3794d..134e3558bbf 100644 --- a/develop/proc/dbcsr_distribution_new_template.html +++ b/develop/proc/dbcsr_distribution_new_template.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -249,7 +249,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribution_nlocal_cols.html b/develop/proc/dbcsr_distribution_nlocal_cols.html index 91903a1ee13..27153fb2882 100644 --- a/develop/proc/dbcsr_distribution_nlocal_cols.html +++ b/develop/proc/dbcsr_distribution_nlocal_cols.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribution_nlocal_rows.html b/develop/proc/dbcsr_distribution_nlocal_rows.html index b56d0364edb..3b294f9c577 100644 --- a/develop/proc/dbcsr_distribution_nlocal_rows.html +++ b/develop/proc/dbcsr_distribution_nlocal_rows.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribution_no_threads.html b/develop/proc/dbcsr_distribution_no_threads.html index c9e94e8d782..738cb34f0ed 100644 --- a/develop/proc/dbcsr_distribution_no_threads.html +++ b/develop/proc/dbcsr_distribution_no_threads.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_distribution_nrows.html b/develop/proc/dbcsr_distribution_nrows.html index b9c8db7d6b8..251cf9b5253 100644 --- a/develop/proc/dbcsr_distribution_nrows.html +++ b/develop/proc/dbcsr_distribution_nrows.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_distribution_num_threads.html b/develop/proc/dbcsr_distribution_num_threads.html index 26cfc83a204..f07e0958c64 100644 --- a/develop/proc/dbcsr_distribution_num_threads.html +++ b/develop/proc/dbcsr_distribution_num_threads.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_distribution_processor.html b/develop/proc/dbcsr_distribution_processor.html index 00bd6d905fe..c4a6320e392 100644 --- a/develop/proc/dbcsr_distribution_processor.html +++ b/develop/proc/dbcsr_distribution_processor.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -206,7 +206,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_distribution_release.html b/develop/proc/dbcsr_distribution_release.html index 16658e4b76a..8210e0c6e13 100644 --- a/develop/proc/dbcsr_distribution_release.html +++ b/develop/proc/dbcsr_distribution_release.html @@ -74,20 +74,20 @@

    dbcsr_distribution_release
  • 18 statements + title=" 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public subroutine dbcsr_distribution_release(dist)

    -

    Releases and potentially destroys a distribution

    Arguments

    @@ -159,10 +158,10 @@

    Arguments

    - + @@ -190,28 +189,10 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_distribution_release(dist)
-      !! Releases and potentially destroys a distribution
-      TYPE(dbcsr_distribution_obj), INTENT(INOUT)        :: dist
+      TYPE(dbcsr_distribution_type)                      :: dist
 
-!   ---------------------------------------------------------------------------
-
-      IF (ASSOCIATED(dist%d)) THEN
-         dist%d%refcount = dist%d%refcount - 1
-         IF (dist%d%refcount .EQ. 0) THEN
-            CALL array_release(dist%d%row_dist_block)
-            CALL array_release(dist%d%col_dist_block)
-            CALL array_release(dist%d%local_rows)
-            CALL array_release(dist%d%local_cols)
-            CALL dbcsr_mp_release(dist%d%mp_env)
-            IF (dist%d%has_thread_dist) &
-               CALL array_release(dist%d%thread_dist)
-            CALL array_release(dist%d%row_map)
-            CALL array_release(dist%d%col_map)
-            CALL dbcsr_dist_release_locals(dist)
-            DEALLOCATE (dist%d)
-         END IF
-      END IF
-   END SUBROUTINE dbcsr_distribution_release
+      CALL dbcsr_distribution_release_prv(dist%prv)
+   END SUBROUTINE dbcsr_distribution_release
    diff --git a/develop/proc/dbcsr_distribution_release~2.html b/develop/proc/dbcsr_distribution_release~2.html index 19810a30801..da35636ec59 100644 --- a/develop/proc/dbcsr_distribution_release~2.html +++ b/develop/proc/dbcsr_distribution_release~2.html @@ -74,20 +74,20 @@

    dbcsr_distribution_release
  • 4 statements + title=" 0.0% of total for procedures.">18 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public subroutine dbcsr_distribution_release(dist)

    +

    Releases and potentially destroys a distribution

    Arguments

    @@ -158,10 +159,10 @@

    Arguments

    - + @@ -189,10 +190,28 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_distribution_release(dist)
-      TYPE(dbcsr_distribution_type)                      :: dist
+      !! Releases and potentially destroys a distribution
+      TYPE(dbcsr_distribution_obj), INTENT(INOUT)        :: dist
 
-      CALL dbcsr_distribution_release_prv(dist%prv)
-   END SUBROUTINE dbcsr_distribution_release
+!   ---------------------------------------------------------------------------
+
+      IF (ASSOCIATED(dist%d)) THEN
+         dist%d%refcount = dist%d%refcount - 1
+         IF (dist%d%refcount .EQ. 0) THEN
+            CALL array_release(dist%d%row_dist_block)
+            CALL array_release(dist%d%col_dist_block)
+            CALL array_release(dist%d%local_rows)
+            CALL array_release(dist%d%local_cols)
+            CALL dbcsr_mp_release(dist%d%mp_env)
+            IF (dist%d%has_thread_dist) &
+               CALL array_release(dist%d%thread_dist)
+            CALL array_release(dist%d%row_map)
+            CALL array_release(dist%d%col_map)
+            CALL dbcsr_dist_release_locals(dist)
+            DEALLOCATE (dist%d)
+         END IF
+      END IF
+   END SUBROUTINE dbcsr_distribution_release
    diff --git a/develop/proc/dbcsr_distribution_row_dist.html b/develop/proc/dbcsr_distribution_row_dist.html index c75f0fac324..7db706ec975 100644 --- a/develop/proc/dbcsr_distribution_row_dist.html +++ b/develop/proc/dbcsr_distribution_row_dist.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer, DIMENSION(:), POINTER, CONTIGUOUS

    diff --git a/develop/proc/dbcsr_distribution_thread_dist.html b/develop/proc/dbcsr_distribution_thread_dist.html index 585cda89e75..363b2bc953f 100644 --- a/develop/proc/dbcsr_distribution_thread_dist.html +++ b/develop/proc/dbcsr_distribution_thread_dist.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + type(array_i1d_obj)

    diff --git a/develop/proc/dbcsr_dot_c.html b/develop/proc/dbcsr_dot_c.html index ffd89c3668f..5fbd1be2421 100644 --- a/develop/proc/dbcsr_dot_c.html +++ b/develop/proc/dbcsr_dot_c.html @@ -74,20 +74,20 @@

    dbcsr_dot_c
  • 55 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, result)

    -

    Dot product of DBCSR matrices

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -199,9 +196,9 @@

    Arguments

    - + @@ -221,96 +218,11 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_dot_c (matrix_a, matrix_b, trace)
-      !! Dot product of DBCSR matrices
-
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a, matrix_b
-         !! DBCSR matrices
-         !! DBCSR matrices
-         COMPLEX(kind=real_4), INTENT(INOUT)                   :: trace
-         !! the trace of the product of the matrices
-
-         INTEGER :: a_blk, a_col, a_col_size, a_row_size, b_blk, b_col_size, &
-                    b_frst_blk, b_last_blk, b_row_size, nze, row, a_beg, a_end, b_beg, b_end
-         CHARACTER                                :: matrix_a_type, matrix_b_type
-         INTEGER, DIMENSION(:), POINTER           :: a_col_blk_size, &
-                                                     a_row_blk_size, &
-                                                     b_col_blk_size, b_row_blk_size
-         COMPLEX(kind=real_4)                                  :: sym_fac, fac
-         LOGICAL                                  :: found, matrix_a_symm, matrix_b_symm
-         COMPLEX(kind=real_4), DIMENSION(:), POINTER           :: a_data, b_data
-
-!   ---------------------------------------------------------------------------
-
-         IF (matrix_a%replication_type .NE. dbcsr_repl_none &
-             .OR. matrix_b%replication_type .NE. dbcsr_repl_none) &
-            DBCSR_ABORT("Trace of product of replicated matrices not yet possible.")
-
-         sym_fac = REAL(1.0, real_4)
-         matrix_a_type = dbcsr_get_matrix_type(matrix_a)
-         matrix_b_type = dbcsr_get_matrix_type(matrix_b)
-         matrix_a_symm = matrix_a_type == dbcsr_type_symmetric .OR. matrix_a_type == dbcsr_type_antisymmetric
-         matrix_b_symm = matrix_b_type == dbcsr_type_symmetric .OR. matrix_b_type == dbcsr_type_antisymmetric
-
-         IF (matrix_a_symm .AND. matrix_b_symm) sym_fac = REAL(2.0, real_4)
-
-         ! tracing a symmetric with a general matrix is not implemented, as it would require communication of blocks
-         IF (matrix_a_symm .NEQV. matrix_b_symm) &
-            DBCSR_ABORT("Tracing general with symmetric matrix NYI")
-
-         a_row_blk_size => array_data(matrix_a%row_blk_size)
-         a_col_blk_size => array_data(matrix_a%col_blk_size)
-         b_row_blk_size => array_data(matrix_b%row_blk_size)
-         b_col_blk_size => array_data(matrix_b%col_blk_size)
-
-         CALL dbcsr_get_data(matrix_a%data_area, a_data)
-         CALL dbcsr_get_data(matrix_b%data_area, b_data)
-
-         ! let's go
-         trace = REAL(0.0, real_4)
-         IF (matrix_a%nblkrows_total .NE. matrix_b%nblkrows_total) &
-            DBCSR_ABORT("this combination of transpose is NYI")
-         DO row = 1, matrix_a%nblkrows_total
-            a_row_size = a_row_blk_size(row)
-            b_row_size = b_row_blk_size(row)
-            IF (a_row_size .NE. b_row_size) DBCSR_ABORT("matrices not consistent")
-            b_blk = matrix_b%row_p(row) + 1
-            b_frst_blk = matrix_b%row_p(row) + 1
-            b_last_blk = matrix_b%row_p(row + 1)
-            DO a_blk = matrix_a%row_p(row) + 1, matrix_a%row_p(row + 1)
-               IF (matrix_a%blk_p(a_blk) .EQ. 0) CYCLE ! Deleted block
-               a_col = matrix_a%col_i(a_blk)
-               a_col_size = a_col_blk_size(a_col)
-               !
-               ! find the b_blk we assume here that the columns are ordered !
-               CALL dbcsr_find_column(a_col, b_frst_blk, b_last_blk, matrix_b%col_i, &
-                                      matrix_b%blk_p, b_blk, found)
-               IF (found) THEN
-                  b_col_size = b_col_blk_size(a_col)
-                  IF (a_col_size .NE. b_col_size) DBCSR_ABORT("matrices not consistent")
-                  !
-                  nze = a_row_size*a_col_size
-                  !
-                  IF (nze .GT. 0) THEN
-                     !
-                     ! let's trace the blocks
-                     a_beg = ABS(matrix_a%blk_p(a_blk))
-                     a_end = a_beg + nze - 1
-                     b_beg = ABS(matrix_b%blk_p(b_blk))
-                     b_end = b_beg + nze - 1
-                     fac = REAL(1.0, real_4)
-                     IF (row .NE. a_col) fac = sym_fac
-
-                     trace = trace + fac*SUM(a_data(a_beg:a_end)*b_data(b_beg:b_end))
-
-                  END IF
-               END IF
-            END DO ! a_col
-         END DO ! a_row
-         !
-         ! sum
-         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
+    
          SUBROUTINE dbcsr_dot_c (matrix_a, matrix_b, result)
+         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a, matrix_b
+         COMPLEX(kind=real_4), INTENT(INOUT)                  :: result
 
+         CALL dbcsr_dot_prv(matrix_a%prv, matrix_b%prv, result)
       END SUBROUTINE dbcsr_dot_c
 
    
 
diff --git a/develop/proc/dbcsr_dot_c~2.html b/develop/proc/dbcsr_dot_c~2.html
index 9eaf339d5d3..b5ccda59ab0 100644
--- a/develop/proc/dbcsr_dot_c~2.html
+++ b/develop/proc/dbcsr_dot_c~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_dot_c
 
             
  • 
               5 statements
+                 title=" 0.1% of total for procedures.">55 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, trace)

    +

    Dot product of DBCSR matrices

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -196,9 +199,9 @@

    Arguments

    - + @@ -218,11 +221,96 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_dot_c (matrix_a, matrix_b, result)
-         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a, matrix_b
-         COMPLEX(kind=real_4), INTENT(INOUT)                  :: result
+    
          SUBROUTINE dbcsr_dot_c (matrix_a, matrix_b, trace)
+      !! Dot product of DBCSR matrices
+
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a, matrix_b
+         !! DBCSR matrices
+         !! DBCSR matrices
+         COMPLEX(kind=real_4), INTENT(INOUT)                   :: trace
+         !! the trace of the product of the matrices
+
+         INTEGER :: a_blk, a_col, a_col_size, a_row_size, b_blk, b_col_size, &
+                    b_frst_blk, b_last_blk, b_row_size, nze, row, a_beg, a_end, b_beg, b_end
+         CHARACTER                                :: matrix_a_type, matrix_b_type
+         INTEGER, DIMENSION(:), POINTER           :: a_col_blk_size, &
+                                                     a_row_blk_size, &
+                                                     b_col_blk_size, b_row_blk_size
+         COMPLEX(kind=real_4)                                  :: sym_fac, fac
+         LOGICAL                                  :: found, matrix_a_symm, matrix_b_symm
+         COMPLEX(kind=real_4), DIMENSION(:), POINTER           :: a_data, b_data
+
+!   ---------------------------------------------------------------------------
+
+         IF (matrix_a%replication_type .NE. dbcsr_repl_none &
+             .OR. matrix_b%replication_type .NE. dbcsr_repl_none) &
+            DBCSR_ABORT("Trace of product of replicated matrices not yet possible.")
+
+         sym_fac = REAL(1.0, real_4)
+         matrix_a_type = dbcsr_get_matrix_type(matrix_a)
+         matrix_b_type = dbcsr_get_matrix_type(matrix_b)
+         matrix_a_symm = matrix_a_type == dbcsr_type_symmetric .OR. matrix_a_type == dbcsr_type_antisymmetric
+         matrix_b_symm = matrix_b_type == dbcsr_type_symmetric .OR. matrix_b_type == dbcsr_type_antisymmetric
+
+         IF (matrix_a_symm .AND. matrix_b_symm) sym_fac = REAL(2.0, real_4)
+
+         ! tracing a symmetric with a general matrix is not implemented, as it would require communication of blocks
+         IF (matrix_a_symm .NEQV. matrix_b_symm) &
+            DBCSR_ABORT("Tracing general with symmetric matrix NYI")
+
+         a_row_blk_size => array_data(matrix_a%row_blk_size)
+         a_col_blk_size => array_data(matrix_a%col_blk_size)
+         b_row_blk_size => array_data(matrix_b%row_blk_size)
+         b_col_blk_size => array_data(matrix_b%col_blk_size)
+
+         CALL dbcsr_get_data(matrix_a%data_area, a_data)
+         CALL dbcsr_get_data(matrix_b%data_area, b_data)
+
+         ! let's go
+         trace = REAL(0.0, real_4)
+         IF (matrix_a%nblkrows_total .NE. matrix_b%nblkrows_total) &
+            DBCSR_ABORT("this combination of transpose is NYI")
+         DO row = 1, matrix_a%nblkrows_total
+            a_row_size = a_row_blk_size(row)
+            b_row_size = b_row_blk_size(row)
+            IF (a_row_size .NE. b_row_size) DBCSR_ABORT("matrices not consistent")
+            b_blk = matrix_b%row_p(row) + 1
+            b_frst_blk = matrix_b%row_p(row) + 1
+            b_last_blk = matrix_b%row_p(row + 1)
+            DO a_blk = matrix_a%row_p(row) + 1, matrix_a%row_p(row + 1)
+               IF (matrix_a%blk_p(a_blk) .EQ. 0) CYCLE ! Deleted block
+               a_col = matrix_a%col_i(a_blk)
+               a_col_size = a_col_blk_size(a_col)
+               !
+               ! find the b_blk we assume here that the columns are ordered !
+               CALL dbcsr_find_column(a_col, b_frst_blk, b_last_blk, matrix_b%col_i, &
+                                      matrix_b%blk_p, b_blk, found)
+               IF (found) THEN
+                  b_col_size = b_col_blk_size(a_col)
+                  IF (a_col_size .NE. b_col_size) DBCSR_ABORT("matrices not consistent")
+                  !
+                  nze = a_row_size*a_col_size
+                  !
+                  IF (nze .GT. 0) THEN
+                     !
+                     ! let's trace the blocks
+                     a_beg = ABS(matrix_a%blk_p(a_blk))
+                     a_end = a_beg + nze - 1
+                     b_beg = ABS(matrix_b%blk_p(b_blk))
+                     b_end = b_beg + nze - 1
+                     fac = REAL(1.0, real_4)
+                     IF (row .NE. a_col) fac = sym_fac
+
+                     trace = trace + fac*SUM(a_data(a_beg:a_end)*b_data(b_beg:b_end))
+
+                  END IF
+               END IF
+            END DO ! a_col
+         END DO ! a_row
+         !
+         ! sum
+         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
 
-         CALL dbcsr_dot_prv(matrix_a%prv, matrix_b%prv, result)
       END SUBROUTINE dbcsr_dot_c
 
    
 
diff --git a/develop/proc/dbcsr_dot_d.html b/develop/proc/dbcsr_dot_d.html
index 7ac4d0cc959..8d3679257b6 100644
--- a/develop/proc/dbcsr_dot_d.html
+++ b/develop/proc/dbcsr_dot_d.html
@@ -74,20 +74,20 @@ 
    dbcsr_dot_d
 
             
  • 
               55 statements
+                 title=" 0.0% of total for procedures.">5 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_dot_d(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_d(matrix_a, matrix_b, result)

    -

    Dot product of DBCSR matrices

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -199,9 +196,9 @@

    Arguments

    - + @@ -221,96 +218,11 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_dot_d (matrix_a, matrix_b, trace)
-      !! Dot product of DBCSR matrices
-
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a, matrix_b
-         !! DBCSR matrices
-         !! DBCSR matrices
-         REAL(kind=real_8), INTENT(INOUT)                   :: trace
-         !! the trace of the product of the matrices
-
-         INTEGER :: a_blk, a_col, a_col_size, a_row_size, b_blk, b_col_size, &
-                    b_frst_blk, b_last_blk, b_row_size, nze, row, a_beg, a_end, b_beg, b_end
-         CHARACTER                                :: matrix_a_type, matrix_b_type
-         INTEGER, DIMENSION(:), POINTER           :: a_col_blk_size, &
-                                                     a_row_blk_size, &
-                                                     b_col_blk_size, b_row_blk_size
-         REAL(kind=real_8)                                  :: sym_fac, fac
-         LOGICAL                                  :: found, matrix_a_symm, matrix_b_symm
-         REAL(kind=real_8), DIMENSION(:), POINTER           :: a_data, b_data
-
-!   ---------------------------------------------------------------------------
-
-         IF (matrix_a%replication_type .NE. dbcsr_repl_none &
-             .OR. matrix_b%replication_type .NE. dbcsr_repl_none) &
-            DBCSR_ABORT("Trace of product of replicated matrices not yet possible.")
-
-         sym_fac = REAL(1.0, real_8)
-         matrix_a_type = dbcsr_get_matrix_type(matrix_a)
-         matrix_b_type = dbcsr_get_matrix_type(matrix_b)
-         matrix_a_symm = matrix_a_type == dbcsr_type_symmetric .OR. matrix_a_type == dbcsr_type_antisymmetric
-         matrix_b_symm = matrix_b_type == dbcsr_type_symmetric .OR. matrix_b_type == dbcsr_type_antisymmetric
-
-         IF (matrix_a_symm .AND. matrix_b_symm) sym_fac = REAL(2.0, real_8)
-
-         ! tracing a symmetric with a general matrix is not implemented, as it would require communication of blocks
-         IF (matrix_a_symm .NEQV. matrix_b_symm) &
-            DBCSR_ABORT("Tracing general with symmetric matrix NYI")
-
-         a_row_blk_size => array_data(matrix_a%row_blk_size)
-         a_col_blk_size => array_data(matrix_a%col_blk_size)
-         b_row_blk_size => array_data(matrix_b%row_blk_size)
-         b_col_blk_size => array_data(matrix_b%col_blk_size)
-
-         CALL dbcsr_get_data(matrix_a%data_area, a_data)
-         CALL dbcsr_get_data(matrix_b%data_area, b_data)
-
-         ! let's go
-         trace = REAL(0.0, real_8)
-         IF (matrix_a%nblkrows_total .NE. matrix_b%nblkrows_total) &
-            DBCSR_ABORT("this combination of transpose is NYI")
-         DO row = 1, matrix_a%nblkrows_total
-            a_row_size = a_row_blk_size(row)
-            b_row_size = b_row_blk_size(row)
-            IF (a_row_size .NE. b_row_size) DBCSR_ABORT("matrices not consistent")
-            b_blk = matrix_b%row_p(row) + 1
-            b_frst_blk = matrix_b%row_p(row) + 1
-            b_last_blk = matrix_b%row_p(row + 1)
-            DO a_blk = matrix_a%row_p(row) + 1, matrix_a%row_p(row + 1)
-               IF (matrix_a%blk_p(a_blk) .EQ. 0) CYCLE ! Deleted block
-               a_col = matrix_a%col_i(a_blk)
-               a_col_size = a_col_blk_size(a_col)
-               !
-               ! find the b_blk we assume here that the columns are ordered !
-               CALL dbcsr_find_column(a_col, b_frst_blk, b_last_blk, matrix_b%col_i, &
-                                      matrix_b%blk_p, b_blk, found)
-               IF (found) THEN
-                  b_col_size = b_col_blk_size(a_col)
-                  IF (a_col_size .NE. b_col_size) DBCSR_ABORT("matrices not consistent")
-                  !
-                  nze = a_row_size*a_col_size
-                  !
-                  IF (nze .GT. 0) THEN
-                     !
-                     ! let's trace the blocks
-                     a_beg = ABS(matrix_a%blk_p(a_blk))
-                     a_end = a_beg + nze - 1
-                     b_beg = ABS(matrix_b%blk_p(b_blk))
-                     b_end = b_beg + nze - 1
-                     fac = REAL(1.0, real_8)
-                     IF (row .NE. a_col) fac = sym_fac
-
-                     trace = trace + fac*SUM(a_data(a_beg:a_end)*b_data(b_beg:b_end))
-
-                  END IF
-               END IF
-            END DO ! a_col
-         END DO ! a_row
-         !
-         ! sum
-         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
+    
          SUBROUTINE dbcsr_dot_d (matrix_a, matrix_b, result)
+         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a, matrix_b
+         REAL(kind=real_8), INTENT(INOUT)                  :: result
 
+         CALL dbcsr_dot_prv(matrix_a%prv, matrix_b%prv, result)
       END SUBROUTINE dbcsr_dot_d
 
    
 
diff --git a/develop/proc/dbcsr_dot_d~2.html b/develop/proc/dbcsr_dot_d~2.html
index 1ff90a30938..432417536ab 100644
--- a/develop/proc/dbcsr_dot_d~2.html
+++ b/develop/proc/dbcsr_dot_d~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_dot_d
 
             
  • 
               5 statements
+                 title=" 0.1% of total for procedures.">55 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_dot_d(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_d(matrix_a, matrix_b, trace)

    +

    Dot product of DBCSR matrices

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -196,9 +199,9 @@

    Arguments

    - + @@ -218,11 +221,96 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_dot_d (matrix_a, matrix_b, result)
-         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a, matrix_b
-         REAL(kind=real_8), INTENT(INOUT)                  :: result
+    
          SUBROUTINE dbcsr_dot_d (matrix_a, matrix_b, trace)
+      !! Dot product of DBCSR matrices
+
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a, matrix_b
+         !! DBCSR matrices
+         !! DBCSR matrices
+         REAL(kind=real_8), INTENT(INOUT)                   :: trace
+         !! the trace of the product of the matrices
+
+         INTEGER :: a_blk, a_col, a_col_size, a_row_size, b_blk, b_col_size, &
+                    b_frst_blk, b_last_blk, b_row_size, nze, row, a_beg, a_end, b_beg, b_end
+         CHARACTER                                :: matrix_a_type, matrix_b_type
+         INTEGER, DIMENSION(:), POINTER           :: a_col_blk_size, &
+                                                     a_row_blk_size, &
+                                                     b_col_blk_size, b_row_blk_size
+         REAL(kind=real_8)                                  :: sym_fac, fac
+         LOGICAL                                  :: found, matrix_a_symm, matrix_b_symm
+         REAL(kind=real_8), DIMENSION(:), POINTER           :: a_data, b_data
+
+!   ---------------------------------------------------------------------------
+
+         IF (matrix_a%replication_type .NE. dbcsr_repl_none &
+             .OR. matrix_b%replication_type .NE. dbcsr_repl_none) &
+            DBCSR_ABORT("Trace of product of replicated matrices not yet possible.")
+
+         sym_fac = REAL(1.0, real_8)
+         matrix_a_type = dbcsr_get_matrix_type(matrix_a)
+         matrix_b_type = dbcsr_get_matrix_type(matrix_b)
+         matrix_a_symm = matrix_a_type == dbcsr_type_symmetric .OR. matrix_a_type == dbcsr_type_antisymmetric
+         matrix_b_symm = matrix_b_type == dbcsr_type_symmetric .OR. matrix_b_type == dbcsr_type_antisymmetric
+
+         IF (matrix_a_symm .AND. matrix_b_symm) sym_fac = REAL(2.0, real_8)
+
+         ! tracing a symmetric with a general matrix is not implemented, as it would require communication of blocks
+         IF (matrix_a_symm .NEQV. matrix_b_symm) &
+            DBCSR_ABORT("Tracing general with symmetric matrix NYI")
+
+         a_row_blk_size => array_data(matrix_a%row_blk_size)
+         a_col_blk_size => array_data(matrix_a%col_blk_size)
+         b_row_blk_size => array_data(matrix_b%row_blk_size)
+         b_col_blk_size => array_data(matrix_b%col_blk_size)
+
+         CALL dbcsr_get_data(matrix_a%data_area, a_data)
+         CALL dbcsr_get_data(matrix_b%data_area, b_data)
+
+         ! let's go
+         trace = REAL(0.0, real_8)
+         IF (matrix_a%nblkrows_total .NE. matrix_b%nblkrows_total) &
+            DBCSR_ABORT("this combination of transpose is NYI")
+         DO row = 1, matrix_a%nblkrows_total
+            a_row_size = a_row_blk_size(row)
+            b_row_size = b_row_blk_size(row)
+            IF (a_row_size .NE. b_row_size) DBCSR_ABORT("matrices not consistent")
+            b_blk = matrix_b%row_p(row) + 1
+            b_frst_blk = matrix_b%row_p(row) + 1
+            b_last_blk = matrix_b%row_p(row + 1)
+            DO a_blk = matrix_a%row_p(row) + 1, matrix_a%row_p(row + 1)
+               IF (matrix_a%blk_p(a_blk) .EQ. 0) CYCLE ! Deleted block
+               a_col = matrix_a%col_i(a_blk)
+               a_col_size = a_col_blk_size(a_col)
+               !
+               ! find the b_blk we assume here that the columns are ordered !
+               CALL dbcsr_find_column(a_col, b_frst_blk, b_last_blk, matrix_b%col_i, &
+                                      matrix_b%blk_p, b_blk, found)
+               IF (found) THEN
+                  b_col_size = b_col_blk_size(a_col)
+                  IF (a_col_size .NE. b_col_size) DBCSR_ABORT("matrices not consistent")
+                  !
+                  nze = a_row_size*a_col_size
+                  !
+                  IF (nze .GT. 0) THEN
+                     !
+                     ! let's trace the blocks
+                     a_beg = ABS(matrix_a%blk_p(a_blk))
+                     a_end = a_beg + nze - 1
+                     b_beg = ABS(matrix_b%blk_p(b_blk))
+                     b_end = b_beg + nze - 1
+                     fac = REAL(1.0, real_8)
+                     IF (row .NE. a_col) fac = sym_fac
+
+                     trace = trace + fac*SUM(a_data(a_beg:a_end)*b_data(b_beg:b_end))
+
+                  END IF
+               END IF
+            END DO ! a_col
+         END DO ! a_row
+         !
+         ! sum
+         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
 
-         CALL dbcsr_dot_prv(matrix_a%prv, matrix_b%prv, result)
       END SUBROUTINE dbcsr_dot_d
 
    
 
diff --git a/develop/proc/dbcsr_dot_s.html b/develop/proc/dbcsr_dot_s.html
index 59d637e90af..5d2dacf3533 100644
--- a/develop/proc/dbcsr_dot_s.html
+++ b/develop/proc/dbcsr_dot_s.html
@@ -74,20 +74,20 @@ 
    dbcsr_dot_s
 
             
  • 
               55 statements
+                 title=" 0.0% of total for procedures.">5 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, result)

    -

    Dot product of DBCSR matrices

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -199,9 +196,9 @@

    Arguments

    - + @@ -221,96 +218,11 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_dot_s (matrix_a, matrix_b, trace)
-      !! Dot product of DBCSR matrices
-
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a, matrix_b
-         !! DBCSR matrices
-         !! DBCSR matrices
-         REAL(kind=real_4), INTENT(INOUT)                   :: trace
-         !! the trace of the product of the matrices
-
-         INTEGER :: a_blk, a_col, a_col_size, a_row_size, b_blk, b_col_size, &
-                    b_frst_blk, b_last_blk, b_row_size, nze, row, a_beg, a_end, b_beg, b_end
-         CHARACTER                                :: matrix_a_type, matrix_b_type
-         INTEGER, DIMENSION(:), POINTER           :: a_col_blk_size, &
-                                                     a_row_blk_size, &
-                                                     b_col_blk_size, b_row_blk_size
-         REAL(kind=real_4)                                  :: sym_fac, fac
-         LOGICAL                                  :: found, matrix_a_symm, matrix_b_symm
-         REAL(kind=real_4), DIMENSION(:), POINTER           :: a_data, b_data
-
-!   ---------------------------------------------------------------------------
-
-         IF (matrix_a%replication_type .NE. dbcsr_repl_none &
-             .OR. matrix_b%replication_type .NE. dbcsr_repl_none) &
-            DBCSR_ABORT("Trace of product of replicated matrices not yet possible.")
-
-         sym_fac = REAL(1.0, real_4)
-         matrix_a_type = dbcsr_get_matrix_type(matrix_a)
-         matrix_b_type = dbcsr_get_matrix_type(matrix_b)
-         matrix_a_symm = matrix_a_type == dbcsr_type_symmetric .OR. matrix_a_type == dbcsr_type_antisymmetric
-         matrix_b_symm = matrix_b_type == dbcsr_type_symmetric .OR. matrix_b_type == dbcsr_type_antisymmetric
-
-         IF (matrix_a_symm .AND. matrix_b_symm) sym_fac = REAL(2.0, real_4)
-
-         ! tracing a symmetric with a general matrix is not implemented, as it would require communication of blocks
-         IF (matrix_a_symm .NEQV. matrix_b_symm) &
-            DBCSR_ABORT("Tracing general with symmetric matrix NYI")
-
-         a_row_blk_size => array_data(matrix_a%row_blk_size)
-         a_col_blk_size => array_data(matrix_a%col_blk_size)
-         b_row_blk_size => array_data(matrix_b%row_blk_size)
-         b_col_blk_size => array_data(matrix_b%col_blk_size)
-
-         CALL dbcsr_get_data(matrix_a%data_area, a_data)
-         CALL dbcsr_get_data(matrix_b%data_area, b_data)
-
-         ! let's go
-         trace = REAL(0.0, real_4)
-         IF (matrix_a%nblkrows_total .NE. matrix_b%nblkrows_total) &
-            DBCSR_ABORT("this combination of transpose is NYI")
-         DO row = 1, matrix_a%nblkrows_total
-            a_row_size = a_row_blk_size(row)
-            b_row_size = b_row_blk_size(row)
-            IF (a_row_size .NE. b_row_size) DBCSR_ABORT("matrices not consistent")
-            b_blk = matrix_b%row_p(row) + 1
-            b_frst_blk = matrix_b%row_p(row) + 1
-            b_last_blk = matrix_b%row_p(row + 1)
-            DO a_blk = matrix_a%row_p(row) + 1, matrix_a%row_p(row + 1)
-               IF (matrix_a%blk_p(a_blk) .EQ. 0) CYCLE ! Deleted block
-               a_col = matrix_a%col_i(a_blk)
-               a_col_size = a_col_blk_size(a_col)
-               !
-               ! find the b_blk we assume here that the columns are ordered !
-               CALL dbcsr_find_column(a_col, b_frst_blk, b_last_blk, matrix_b%col_i, &
-                                      matrix_b%blk_p, b_blk, found)
-               IF (found) THEN
-                  b_col_size = b_col_blk_size(a_col)
-                  IF (a_col_size .NE. b_col_size) DBCSR_ABORT("matrices not consistent")
-                  !
-                  nze = a_row_size*a_col_size
-                  !
-                  IF (nze .GT. 0) THEN
-                     !
-                     ! let's trace the blocks
-                     a_beg = ABS(matrix_a%blk_p(a_blk))
-                     a_end = a_beg + nze - 1
-                     b_beg = ABS(matrix_b%blk_p(b_blk))
-                     b_end = b_beg + nze - 1
-                     fac = REAL(1.0, real_4)
-                     IF (row .NE. a_col) fac = sym_fac
-
-                     trace = trace + fac*SUM(a_data(a_beg:a_end)*b_data(b_beg:b_end))
-
-                  END IF
-               END IF
-            END DO ! a_col
-         END DO ! a_row
-         !
-         ! sum
-         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
+    
          SUBROUTINE dbcsr_dot_s (matrix_a, matrix_b, result)
+         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a, matrix_b
+         REAL(kind=real_4), INTENT(INOUT)                  :: result
 
+         CALL dbcsr_dot_prv(matrix_a%prv, matrix_b%prv, result)
       END SUBROUTINE dbcsr_dot_s
 
    
 
diff --git a/develop/proc/dbcsr_dot_sd.html b/develop/proc/dbcsr_dot_sd.html
index d0740be94b7..cfafc5c50a4 100644
--- a/develop/proc/dbcsr_dot_sd.html
+++ b/develop/proc/dbcsr_dot_sd.html
@@ -160,7 +160,7 @@ 
    Arguments
    @@ -176,7 +176,7 @@

    Arguments

    @@ -192,7 +192,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_dot_s~2.html b/develop/proc/dbcsr_dot_s~2.html index 0e3ea0cd946..5ef37aa6682 100644 --- a/develop/proc/dbcsr_dot_s~2.html +++ b/develop/proc/dbcsr_dot_s~2.html @@ -74,20 +74,20 @@

    dbcsr_dot_s
  • 5 statements + title=" 0.1% of total for procedures.">55 statements
  • - Source File + Source File
    • @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, trace)

    +

    Dot product of DBCSR matrices

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -196,9 +199,9 @@

    Arguments

    - + @@ -218,11 +221,96 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_dot_s (matrix_a, matrix_b, result)
-         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a, matrix_b
-         REAL(kind=real_4), INTENT(INOUT)                  :: result
+    
          SUBROUTINE dbcsr_dot_s (matrix_a, matrix_b, trace)
+      !! Dot product of DBCSR matrices
+
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a, matrix_b
+         !! DBCSR matrices
+         !! DBCSR matrices
+         REAL(kind=real_4), INTENT(INOUT)                   :: trace
+         !! the trace of the product of the matrices
+
+         INTEGER :: a_blk, a_col, a_col_size, a_row_size, b_blk, b_col_size, &
+                    b_frst_blk, b_last_blk, b_row_size, nze, row, a_beg, a_end, b_beg, b_end
+         CHARACTER                                :: matrix_a_type, matrix_b_type
+         INTEGER, DIMENSION(:), POINTER           :: a_col_blk_size, &
+                                                     a_row_blk_size, &
+                                                     b_col_blk_size, b_row_blk_size
+         REAL(kind=real_4)                                  :: sym_fac, fac
+         LOGICAL                                  :: found, matrix_a_symm, matrix_b_symm
+         REAL(kind=real_4), DIMENSION(:), POINTER           :: a_data, b_data
+
+!   ---------------------------------------------------------------------------
+
+         IF (matrix_a%replication_type .NE. dbcsr_repl_none &
+             .OR. matrix_b%replication_type .NE. dbcsr_repl_none) &
+            DBCSR_ABORT("Trace of product of replicated matrices not yet possible.")
+
+         sym_fac = REAL(1.0, real_4)
+         matrix_a_type = dbcsr_get_matrix_type(matrix_a)
+         matrix_b_type = dbcsr_get_matrix_type(matrix_b)
+         matrix_a_symm = matrix_a_type == dbcsr_type_symmetric .OR. matrix_a_type == dbcsr_type_antisymmetric
+         matrix_b_symm = matrix_b_type == dbcsr_type_symmetric .OR. matrix_b_type == dbcsr_type_antisymmetric
+
+         IF (matrix_a_symm .AND. matrix_b_symm) sym_fac = REAL(2.0, real_4)
+
+         ! tracing a symmetric with a general matrix is not implemented, as it would require communication of blocks
+         IF (matrix_a_symm .NEQV. matrix_b_symm) &
+            DBCSR_ABORT("Tracing general with symmetric matrix NYI")
+
+         a_row_blk_size => array_data(matrix_a%row_blk_size)
+         a_col_blk_size => array_data(matrix_a%col_blk_size)
+         b_row_blk_size => array_data(matrix_b%row_blk_size)
+         b_col_blk_size => array_data(matrix_b%col_blk_size)
+
+         CALL dbcsr_get_data(matrix_a%data_area, a_data)
+         CALL dbcsr_get_data(matrix_b%data_area, b_data)
+
+         ! let's go
+         trace = REAL(0.0, real_4)
+         IF (matrix_a%nblkrows_total .NE. matrix_b%nblkrows_total) &
+            DBCSR_ABORT("this combination of transpose is NYI")
+         DO row = 1, matrix_a%nblkrows_total
+            a_row_size = a_row_blk_size(row)
+            b_row_size = b_row_blk_size(row)
+            IF (a_row_size .NE. b_row_size) DBCSR_ABORT("matrices not consistent")
+            b_blk = matrix_b%row_p(row) + 1
+            b_frst_blk = matrix_b%row_p(row) + 1
+            b_last_blk = matrix_b%row_p(row + 1)
+            DO a_blk = matrix_a%row_p(row) + 1, matrix_a%row_p(row + 1)
+               IF (matrix_a%blk_p(a_blk) .EQ. 0) CYCLE ! Deleted block
+               a_col = matrix_a%col_i(a_blk)
+               a_col_size = a_col_blk_size(a_col)
+               !
+               ! find the b_blk we assume here that the columns are ordered !
+               CALL dbcsr_find_column(a_col, b_frst_blk, b_last_blk, matrix_b%col_i, &
+                                      matrix_b%blk_p, b_blk, found)
+               IF (found) THEN
+                  b_col_size = b_col_blk_size(a_col)
+                  IF (a_col_size .NE. b_col_size) DBCSR_ABORT("matrices not consistent")
+                  !
+                  nze = a_row_size*a_col_size
+                  !
+                  IF (nze .GT. 0) THEN
+                     !
+                     ! let's trace the blocks
+                     a_beg = ABS(matrix_a%blk_p(a_blk))
+                     a_end = a_beg + nze - 1
+                     b_beg = ABS(matrix_b%blk_p(b_blk))
+                     b_end = b_beg + nze - 1
+                     fac = REAL(1.0, real_4)
+                     IF (row .NE. a_col) fac = sym_fac
+
+                     trace = trace + fac*SUM(a_data(a_beg:a_end)*b_data(b_beg:b_end))
+
+                  END IF
+               END IF
+            END DO ! a_col
+         END DO ! a_row
+         !
+         ! sum
+         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
 
-         CALL dbcsr_dot_prv(matrix_a%prv, matrix_b%prv, result)
       END SUBROUTINE dbcsr_dot_s
 
    
 
diff --git a/develop/proc/dbcsr_dot_z.html b/develop/proc/dbcsr_dot_z.html
index 8d79ce34369..72355edae08 100644
--- a/develop/proc/dbcsr_dot_z.html
+++ b/develop/proc/dbcsr_dot_z.html
@@ -74,20 +74,20 @@ 
    dbcsr_dot_z
 
             
  • 
               55 statements
+                 title=" 0.0% of total for procedures.">5 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, result)

    -

    Dot product of DBCSR matrices

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -199,9 +196,9 @@

    Arguments

    - + @@ -221,96 +218,11 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_dot_z (matrix_a, matrix_b, trace)
-      !! Dot product of DBCSR matrices
-
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a, matrix_b
-         !! DBCSR matrices
-         !! DBCSR matrices
-         COMPLEX(kind=real_8), INTENT(INOUT)                   :: trace
-         !! the trace of the product of the matrices
-
-         INTEGER :: a_blk, a_col, a_col_size, a_row_size, b_blk, b_col_size, &
-                    b_frst_blk, b_last_blk, b_row_size, nze, row, a_beg, a_end, b_beg, b_end
-         CHARACTER                                :: matrix_a_type, matrix_b_type
-         INTEGER, DIMENSION(:), POINTER           :: a_col_blk_size, &
-                                                     a_row_blk_size, &
-                                                     b_col_blk_size, b_row_blk_size
-         COMPLEX(kind=real_8)                                  :: sym_fac, fac
-         LOGICAL                                  :: found, matrix_a_symm, matrix_b_symm
-         COMPLEX(kind=real_8), DIMENSION(:), POINTER           :: a_data, b_data
-
-!   ---------------------------------------------------------------------------
-
-         IF (matrix_a%replication_type .NE. dbcsr_repl_none &
-             .OR. matrix_b%replication_type .NE. dbcsr_repl_none) &
-            DBCSR_ABORT("Trace of product of replicated matrices not yet possible.")
-
-         sym_fac = REAL(1.0, real_8)
-         matrix_a_type = dbcsr_get_matrix_type(matrix_a)
-         matrix_b_type = dbcsr_get_matrix_type(matrix_b)
-         matrix_a_symm = matrix_a_type == dbcsr_type_symmetric .OR. matrix_a_type == dbcsr_type_antisymmetric
-         matrix_b_symm = matrix_b_type == dbcsr_type_symmetric .OR. matrix_b_type == dbcsr_type_antisymmetric
-
-         IF (matrix_a_symm .AND. matrix_b_symm) sym_fac = REAL(2.0, real_8)
-
-         ! tracing a symmetric with a general matrix is not implemented, as it would require communication of blocks
-         IF (matrix_a_symm .NEQV. matrix_b_symm) &
-            DBCSR_ABORT("Tracing general with symmetric matrix NYI")
-
-         a_row_blk_size => array_data(matrix_a%row_blk_size)
-         a_col_blk_size => array_data(matrix_a%col_blk_size)
-         b_row_blk_size => array_data(matrix_b%row_blk_size)
-         b_col_blk_size => array_data(matrix_b%col_blk_size)
-
-         CALL dbcsr_get_data(matrix_a%data_area, a_data)
-         CALL dbcsr_get_data(matrix_b%data_area, b_data)
-
-         ! let's go
-         trace = REAL(0.0, real_8)
-         IF (matrix_a%nblkrows_total .NE. matrix_b%nblkrows_total) &
-            DBCSR_ABORT("this combination of transpose is NYI")
-         DO row = 1, matrix_a%nblkrows_total
-            a_row_size = a_row_blk_size(row)
-            b_row_size = b_row_blk_size(row)
-            IF (a_row_size .NE. b_row_size) DBCSR_ABORT("matrices not consistent")
-            b_blk = matrix_b%row_p(row) + 1
-            b_frst_blk = matrix_b%row_p(row) + 1
-            b_last_blk = matrix_b%row_p(row + 1)
-            DO a_blk = matrix_a%row_p(row) + 1, matrix_a%row_p(row + 1)
-               IF (matrix_a%blk_p(a_blk) .EQ. 0) CYCLE ! Deleted block
-               a_col = matrix_a%col_i(a_blk)
-               a_col_size = a_col_blk_size(a_col)
-               !
-               ! find the b_blk we assume here that the columns are ordered !
-               CALL dbcsr_find_column(a_col, b_frst_blk, b_last_blk, matrix_b%col_i, &
-                                      matrix_b%blk_p, b_blk, found)
-               IF (found) THEN
-                  b_col_size = b_col_blk_size(a_col)
-                  IF (a_col_size .NE. b_col_size) DBCSR_ABORT("matrices not consistent")
-                  !
-                  nze = a_row_size*a_col_size
-                  !
-                  IF (nze .GT. 0) THEN
-                     !
-                     ! let's trace the blocks
-                     a_beg = ABS(matrix_a%blk_p(a_blk))
-                     a_end = a_beg + nze - 1
-                     b_beg = ABS(matrix_b%blk_p(b_blk))
-                     b_end = b_beg + nze - 1
-                     fac = REAL(1.0, real_8)
-                     IF (row .NE. a_col) fac = sym_fac
-
-                     trace = trace + fac*SUM(a_data(a_beg:a_end)*b_data(b_beg:b_end))
-
-                  END IF
-               END IF
-            END DO ! a_col
-         END DO ! a_row
-         !
-         ! sum
-         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
+    
          SUBROUTINE dbcsr_dot_z (matrix_a, matrix_b, result)
+         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a, matrix_b
+         COMPLEX(kind=real_8), INTENT(INOUT)                  :: result
 
+         CALL dbcsr_dot_prv(matrix_a%prv, matrix_b%prv, result)
       END SUBROUTINE dbcsr_dot_z
 
    
 
diff --git a/develop/proc/dbcsr_dot_z~2.html b/develop/proc/dbcsr_dot_z~2.html
index fee14895713..13d6d755855 100644
--- a/develop/proc/dbcsr_dot_z~2.html
+++ b/develop/proc/dbcsr_dot_z~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_dot_z
 
             
  • 
               5 statements
+                 title=" 0.1% of total for procedures.">55 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, trace)

    +

    Dot product of DBCSR matrices

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -196,9 +199,9 @@

    Arguments

    - + @@ -218,11 +221,96 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_dot_z (matrix_a, matrix_b, result)
-         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a, matrix_b
-         COMPLEX(kind=real_8), INTENT(INOUT)                  :: result
+    
          SUBROUTINE dbcsr_dot_z (matrix_a, matrix_b, trace)
+      !! Dot product of DBCSR matrices
+
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a, matrix_b
+         !! DBCSR matrices
+         !! DBCSR matrices
+         COMPLEX(kind=real_8), INTENT(INOUT)                   :: trace
+         !! the trace of the product of the matrices
+
+         INTEGER :: a_blk, a_col, a_col_size, a_row_size, b_blk, b_col_size, &
+                    b_frst_blk, b_last_blk, b_row_size, nze, row, a_beg, a_end, b_beg, b_end
+         CHARACTER                                :: matrix_a_type, matrix_b_type
+         INTEGER, DIMENSION(:), POINTER           :: a_col_blk_size, &
+                                                     a_row_blk_size, &
+                                                     b_col_blk_size, b_row_blk_size
+         COMPLEX(kind=real_8)                                  :: sym_fac, fac
+         LOGICAL                                  :: found, matrix_a_symm, matrix_b_symm
+         COMPLEX(kind=real_8), DIMENSION(:), POINTER           :: a_data, b_data
+
+!   ---------------------------------------------------------------------------
+
+         IF (matrix_a%replication_type .NE. dbcsr_repl_none &
+             .OR. matrix_b%replication_type .NE. dbcsr_repl_none) &
+            DBCSR_ABORT("Trace of product of replicated matrices not yet possible.")
+
+         sym_fac = REAL(1.0, real_8)
+         matrix_a_type = dbcsr_get_matrix_type(matrix_a)
+         matrix_b_type = dbcsr_get_matrix_type(matrix_b)
+         matrix_a_symm = matrix_a_type == dbcsr_type_symmetric .OR. matrix_a_type == dbcsr_type_antisymmetric
+         matrix_b_symm = matrix_b_type == dbcsr_type_symmetric .OR. matrix_b_type == dbcsr_type_antisymmetric
+
+         IF (matrix_a_symm .AND. matrix_b_symm) sym_fac = REAL(2.0, real_8)
+
+         ! tracing a symmetric with a general matrix is not implemented, as it would require communication of blocks
+         IF (matrix_a_symm .NEQV. matrix_b_symm) &
+            DBCSR_ABORT("Tracing general with symmetric matrix NYI")
+
+         a_row_blk_size => array_data(matrix_a%row_blk_size)
+         a_col_blk_size => array_data(matrix_a%col_blk_size)
+         b_row_blk_size => array_data(matrix_b%row_blk_size)
+         b_col_blk_size => array_data(matrix_b%col_blk_size)
+
+         CALL dbcsr_get_data(matrix_a%data_area, a_data)
+         CALL dbcsr_get_data(matrix_b%data_area, b_data)
+
+         ! let's go
+         trace = REAL(0.0, real_8)
+         IF (matrix_a%nblkrows_total .NE. matrix_b%nblkrows_total) &
+            DBCSR_ABORT("this combination of transpose is NYI")
+         DO row = 1, matrix_a%nblkrows_total
+            a_row_size = a_row_blk_size(row)
+            b_row_size = b_row_blk_size(row)
+            IF (a_row_size .NE. b_row_size) DBCSR_ABORT("matrices not consistent")
+            b_blk = matrix_b%row_p(row) + 1
+            b_frst_blk = matrix_b%row_p(row) + 1
+            b_last_blk = matrix_b%row_p(row + 1)
+            DO a_blk = matrix_a%row_p(row) + 1, matrix_a%row_p(row + 1)
+               IF (matrix_a%blk_p(a_blk) .EQ. 0) CYCLE ! Deleted block
+               a_col = matrix_a%col_i(a_blk)
+               a_col_size = a_col_blk_size(a_col)
+               !
+               ! find the b_blk we assume here that the columns are ordered !
+               CALL dbcsr_find_column(a_col, b_frst_blk, b_last_blk, matrix_b%col_i, &
+                                      matrix_b%blk_p, b_blk, found)
+               IF (found) THEN
+                  b_col_size = b_col_blk_size(a_col)
+                  IF (a_col_size .NE. b_col_size) DBCSR_ABORT("matrices not consistent")
+                  !
+                  nze = a_row_size*a_col_size
+                  !
+                  IF (nze .GT. 0) THEN
+                     !
+                     ! let's trace the blocks
+                     a_beg = ABS(matrix_a%blk_p(a_blk))
+                     a_end = a_beg + nze - 1
+                     b_beg = ABS(matrix_b%blk_p(b_blk))
+                     b_end = b_beg + nze - 1
+                     fac = REAL(1.0, real_8)
+                     IF (row .NE. a_col) fac = sym_fac
+
+                     trace = trace + fac*SUM(a_data(a_beg:a_end)*b_data(b_beg:b_end))
+
+                  END IF
+               END IF
+            END DO ! a_col
+         END DO ! a_row
+         !
+         ! sum
+         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
 
-         CALL dbcsr_dot_prv(matrix_a%prv, matrix_b%prv, result)
       END SUBROUTINE dbcsr_dot_z
 
    
 
diff --git a/develop/proc/dbcsr_expand_row_index.html b/develop/proc/dbcsr_expand_row_index.html
index 88464389958..210a203831b 100644
--- a/develop/proc/dbcsr_expand_row_index.html
+++ b/develop/proc/dbcsr_expand_row_index.html
@@ -159,7 +159,7 @@ 
    Arguments
    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_expand_row_index_2d.html b/develop/proc/dbcsr_expand_row_index_2d.html index 9e027a0a0a2..5feda2cc12e 100644 --- a/develop/proc/dbcsr_expand_row_index_2d.html +++ b/develop/proc/dbcsr_expand_row_index_2d.html @@ -159,7 +159,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_fill_wm_from_matrix.html b/develop/proc/dbcsr_fill_wm_from_matrix.html index 2684ceea586..65f66171d06 100644 --- a/develop/proc/dbcsr_fill_wm_from_matrix.html +++ b/develop/proc/dbcsr_fill_wm_from_matrix.html @@ -163,7 +163,7 @@

    Arguments

    @@ -178,7 +178,7 @@

    Arguments

    @@ -208,7 +208,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_filter.html b/develop/proc/dbcsr_filter.html index ece9056df44..9744b2ced79 100644 --- a/develop/proc/dbcsr_filter.html +++ b/develop/proc/dbcsr_filter.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_filter_anytype.html b/develop/proc/dbcsr_filter_anytype.html index 5f890210578..5cb8ac36335 100644 --- a/develop/proc/dbcsr_filter_anytype.html +++ b/develop/proc/dbcsr_filter_anytype.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_filter_c.html b/develop/proc/dbcsr_filter_c.html index 46a3c12c899..fdb59a0f491 100644 --- a/develop/proc/dbcsr_filter_c.html +++ b/develop/proc/dbcsr_filter_c.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_filter_d.html b/develop/proc/dbcsr_filter_d.html index 21f062136ab..9d4c670a857 100644 --- a/develop/proc/dbcsr_filter_d.html +++ b/develop/proc/dbcsr_filter_d.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_filter_s.html b/develop/proc/dbcsr_filter_s.html index e92c88794ad..875f628855e 100644 --- a/develop/proc/dbcsr_filter_s.html +++ b/develop/proc/dbcsr_filter_s.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_filter_z.html b/develop/proc/dbcsr_filter_z.html index 882d6e4992e..d7ff4766b3d 100644 --- a/develop/proc/dbcsr_filter_z.html +++ b/develop/proc/dbcsr_filter_z.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_finalize.html b/develop/proc/dbcsr_finalize.html index 42d76d2b087..4a46472a7a8 100644 --- a/develop/proc/dbcsr_finalize.html +++ b/develop/proc/dbcsr_finalize.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_finalize~2.html b/develop/proc/dbcsr_finalize~2.html index 20b8d5b6a9d..3a9e730d753 100644 --- a/develop/proc/dbcsr_finalize~2.html +++ b/develop/proc/dbcsr_finalize~2.html @@ -162,7 +162,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_find_column.html b/develop/proc/dbcsr_find_column.html index e09c3befd63..213f510f09d 100644 --- a/develop/proc/dbcsr_find_column.html +++ b/develop/proc/dbcsr_find_column.html @@ -216,7 +216,7 @@

    Arguments

    @@ -232,7 +232,7 @@

    Arguments

    @@ -248,7 +248,7 @@

    Arguments

    @@ -263,7 +263,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_frobenius_norm.html b/develop/proc/dbcsr_frobenius_norm.html index 12bdd059e51..42d56908ac0 100644 --- a/develop/proc/dbcsr_frobenius_norm.html +++ b/develop/proc/dbcsr_frobenius_norm.html @@ -74,20 +74,20 @@

    dbcsr_frobenius_norm
  • 50 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public function dbcsr_frobenius_norm(matrix, local) result(norm)

    -

    compute a norm of a dbcsr matrix

    Arguments

    @@ -159,22 +158,22 @@

    Arguments

    - + @@ -192,7 +191,7 @@

    Arguments

    Return Value - + real(kind=real_8)

    @@ -212,70 +211,11 @@

    Return Value

    Source Code

       FUNCTION dbcsr_frobenius_norm(matrix, local) RESULT(norm)
-      !! compute a norm of a dbcsr matrix
-
-      TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         !! the matrix
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
       LOGICAL, INTENT(in), OPTIONAL                      :: local
       REAL(KIND=real_8)                                  :: norm
 
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_frobenius_norm'
-
-      COMPLEX(KIND=real_4), DIMENSION(:, :), POINTER     :: data_c
-      COMPLEX(KIND=real_8), DIMENSION(:, :), POINTER     :: data_z
-      INTEGER                                            :: blk, col, handle, row
-      LOGICAL                                            :: any_sym, my_local, tr
-      REAL(KIND=real_4), DIMENSION(:, :), POINTER        :: data_r
-      REAL(KIND=real_8), DIMENSION(:, :), POINTER        :: data_d
-      REAL(real_8)                                       :: fac
-      TYPE(dbcsr_iterator)                               :: iter
-
-!   ---------------------------------------------------------------------------
-
-      CALL timeset(routineN, handle)
-
-      my_local = .FALSE.
-      IF (PRESENT(local)) my_local = local
-
-      any_sym = dbcsr_get_matrix_type(matrix) .EQ. dbcsr_type_symmetric .OR. &
-                dbcsr_get_matrix_type(matrix) .EQ. dbcsr_type_antisymmetric
-
-      norm = 0.0_dp
-      CALL dbcsr_iterator_start(iter, matrix)
-      DO WHILE (dbcsr_iterator_blocks_left(iter))
-         SELECT CASE (dbcsr_get_data_type(matrix))
-         CASE (dbcsr_type_real_4)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_r, tr, blk)
-            fac = 1.0_dp
-            IF (any_sym .AND. row .NE. col) fac = 2.0_dp
-            norm = norm + fac*SUM(data_r**2)
-         CASE (dbcsr_type_real_8)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_d, tr, blk)
-            fac = 1.0_dp
-            IF (any_sym .AND. row .NE. col) fac = 2.0_dp
-            norm = norm + fac*SUM(data_d**2)
-         CASE (dbcsr_type_complex_4)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_c, tr, blk)
-            fac = 1.0_dp
-            IF (any_sym .AND. row .NE. col) &
-               DBCSR_ABORT("Only nonsymmetric matrix so far")
-            norm = norm + fac*REAL(SUM(CONJG(data_c)*data_c), KIND=real_8)
-         CASE (dbcsr_type_complex_8)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_z, tr, blk)
-            fac = 1.0_dp
-            IF (any_sym .AND. row .NE. col) &
-               DBCSR_ABORT("Only nonsymmetric matrix so far")
-            norm = norm + fac*REAL(SUM(CONJG(data_z)*data_z), KIND=real_8)
-         CASE DEFAULT
-            DBCSR_ABORT("Wrong data type")
-         END SELECT
-      END DO
-      CALL dbcsr_iterator_stop(iter)
-      IF (.NOT. my_local) CALL mp_sum(norm, dbcsr_mp_group(dbcsr_distribution_mp(matrix%dist)))
-      norm = SQRT(norm)
-
-      CALL timestop(handle)
-
+      norm = dbcsr_frobenius_norm_prv(matrix%prv, local)
    END FUNCTION dbcsr_frobenius_norm
    diff --git a/develop/proc/dbcsr_frobenius_norm~2.html b/develop/proc/dbcsr_frobenius_norm~2.html index 8b4ccc4ddc6..5b1ed2e5cbc 100644 --- a/develop/proc/dbcsr_frobenius_norm~2.html +++ b/develop/proc/dbcsr_frobenius_norm~2.html @@ -74,20 +74,20 @@

    dbcsr_frobenius_norm
  • 6 statements + title=" 0.1% of total for procedures.">50 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public function dbcsr_frobenius_norm(matrix, local) result(norm)

    +

    compute a norm of a dbcsr matrix

    Arguments

    @@ -158,22 +159,22 @@

    Arguments

    - + @@ -191,7 +192,7 @@

    Arguments

    Return Value - + real(kind=real_8)

    @@ -211,11 +212,70 @@

    Return Value

    Source Code

       FUNCTION dbcsr_frobenius_norm(matrix, local) RESULT(norm)
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
+      !! compute a norm of a dbcsr matrix
+
+      TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         !! the matrix
       LOGICAL, INTENT(in), OPTIONAL                      :: local
       REAL(KIND=real_8)                                  :: norm
 
-      norm = dbcsr_frobenius_norm_prv(matrix%prv, local)
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_frobenius_norm'
+
+      COMPLEX(KIND=real_4), DIMENSION(:, :), POINTER     :: data_c
+      COMPLEX(KIND=real_8), DIMENSION(:, :), POINTER     :: data_z
+      INTEGER                                            :: blk, col, handle, row
+      LOGICAL                                            :: any_sym, my_local, tr
+      REAL(KIND=real_4), DIMENSION(:, :), POINTER        :: data_r
+      REAL(KIND=real_8), DIMENSION(:, :), POINTER        :: data_d
+      REAL(real_8)                                       :: fac
+      TYPE(dbcsr_iterator)                               :: iter
+
+!   ---------------------------------------------------------------------------
+
+      CALL timeset(routineN, handle)
+
+      my_local = .FALSE.
+      IF (PRESENT(local)) my_local = local
+
+      any_sym = dbcsr_get_matrix_type(matrix) .EQ. dbcsr_type_symmetric .OR. &
+                dbcsr_get_matrix_type(matrix) .EQ. dbcsr_type_antisymmetric
+
+      norm = 0.0_dp
+      CALL dbcsr_iterator_start(iter, matrix)
+      DO WHILE (dbcsr_iterator_blocks_left(iter))
+         SELECT CASE (dbcsr_get_data_type(matrix))
+         CASE (dbcsr_type_real_4)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_r, tr, blk)
+            fac = 1.0_dp
+            IF (any_sym .AND. row .NE. col) fac = 2.0_dp
+            norm = norm + fac*SUM(data_r**2)
+         CASE (dbcsr_type_real_8)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_d, tr, blk)
+            fac = 1.0_dp
+            IF (any_sym .AND. row .NE. col) fac = 2.0_dp
+            norm = norm + fac*SUM(data_d**2)
+         CASE (dbcsr_type_complex_4)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_c, tr, blk)
+            fac = 1.0_dp
+            IF (any_sym .AND. row .NE. col) &
+               DBCSR_ABORT("Only nonsymmetric matrix so far")
+            norm = norm + fac*REAL(SUM(CONJG(data_c)*data_c), KIND=real_8)
+         CASE (dbcsr_type_complex_8)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_z, tr, blk)
+            fac = 1.0_dp
+            IF (any_sym .AND. row .NE. col) &
+               DBCSR_ABORT("Only nonsymmetric matrix so far")
+            norm = norm + fac*REAL(SUM(CONJG(data_z)*data_z), KIND=real_8)
+         CASE DEFAULT
+            DBCSR_ABORT("Wrong data type")
+         END SELECT
+      END DO
+      CALL dbcsr_iterator_stop(iter)
+      IF (.NOT. my_local) CALL mp_sum(norm, dbcsr_mp_group(dbcsr_distribution_mp(matrix%dist)))
+      norm = SQRT(norm)
+
+      CALL timestop(handle)
+
    END FUNCTION dbcsr_frobenius_norm
    diff --git a/develop/proc/dbcsr_function_of_elements.html b/develop/proc/dbcsr_function_of_elements.html index 3afe0b54b44..a39432dc3d9 100644 --- a/develop/proc/dbcsr_function_of_elements.html +++ b/develop/proc/dbcsr_function_of_elements.html @@ -74,20 +74,20 @@

    dbcsr_function_of_elements
  • 92 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,28 +143,6 @@

    public subroutine dbcsr_function_of_elements(matrix_a, func, a0, a1, a2)

    -

    Computes various functions (defined by func) of matrix elements

    -
    -

    Note

    -

    sign(A,B) returns the value of A with the sign of B -dbcsr_func_inverse: 1/(a1x+a0) -fails if the inversion produces infinite numbers -dbcsr_func_inverse_special: 1/(x+sign(a0,x)) -safe inverse: if a0>0 then the denominator is never zero -dbcsr_func_tanh: tanh(a1x+a0) -dbcsr_func_dtanh: d(tanh(a1x+a0)) / dx -dbcsr_func_ddtanh: d2(tanh(a1x+a0)) / dx2 -dbcsr_func_artanh: artanh(a1x+a0)=ln[(1+(a1x+a0))/(1-(a1x+a0))]/2 -fails if |a1x+a0| >= 1 -dbcsr_func_sread_from_zero: if |x|<|a0| then x=sign(a0,x) -dbcsr_func_truncate: if |x|>|a0| then x=sign(a0,x) -dbcsr_func_sin: sin(a1x+a0) -dbcsr_func_cos: cos(a1x+a0) -dbcsr_func_dsin: d(sin(a1x+a0)) / dx = a1cos(a1x+a0) -dbcsr_func_ddsin: d2(sin(a1x+a0)) / dx2 = -a1a1sin(a1x+a0) -dbcsr_func_asin: asin(a1x+a0) -fails if |a1*x+a0| > 1

    -

    Arguments

    @@ -180,8 +158,8 @@

    Arguments

    @@ -271,153 +249,11 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_function_of_elements(matrix_a, func, a0, a1, a2)
-      !! Computes various functions (defined by func) of matrix elements
-      !! @note  sign(A,B) returns the value of A with the sign of B
-      !! dbcsr_func_inverse:   1/(a1*x+a0)
-      !! fails if the inversion produces infinite numbers
-      !! dbcsr_func_inverse_special: 1/(x+sign(a0,x))
-      !! safe inverse: if a0>0 then the denominator is never zero
-      !! dbcsr_func_tanh:    tanh(a1*x+a0)
-      !! dbcsr_func_dtanh:   d(tanh(a1*x+a0)) / dx
-      !! dbcsr_func_ddtanh:  d2(tanh(a1*x+a0)) / dx2
-      !! dbcsr_func_artanh:  artanh(a1*x+a0)=ln[(1+(a1*x+a0))/(1-(a1*x+a0))]/2
-      !! fails if |a1*x+a0| >= 1
-      !! dbcsr_func_sread_from_zero:  if |x|<|a0| then x=sign(a0,x)
-      !! dbcsr_func_truncate:  if |x|>|a0| then x=sign(a0,x)
-      !! dbcsr_func_sin:     sin(a1*x+a0)
-      !! dbcsr_func_cos:     cos(a1*x+a0)
-      !! dbcsr_func_dsin:    d(sin(a1*x+a0)) / dx = a1*cos(a1*x+a0)
-      !! dbcsr_func_ddsin:   d2(sin(a1*x+a0)) / dx2 = -a1*a1*sin(a1*x+a0)
-      !! dbcsr_func_asin:    asin(a1*x+a0)
-      !! fails if |a1*x+a0| > 1
-
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
-         !! DBCSR matrix
       INTEGER, INTENT(IN)                                :: func
       REAL(kind=dp), INTENT(IN), OPTIONAL                :: a0, a1, a2
 
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_function_of_elements'
-
-      INTEGER                                            :: blk, col, col_size, data_type, handle, &
-                                                            ielem, nze, row, row_size
-      LOGICAL                                            :: tr_a
-      REAL(kind=dp)                                      :: p0, p1, p2
-      TYPE(dbcsr_data_obj)                               :: a_data
-      TYPE(dbcsr_iterator)                               :: iter
-
-!   ---------------------------------------------------------------------------
-
-      CALL timeset(routineN, handle)
-
-      IF (PRESENT(a0)) THEN
-         p0 = a0
-      ELSE
-         p0 = 0.0_dp
-      END IF
-      IF (PRESENT(a1)) THEN
-         p1 = a1
-      ELSE
-         p1 = 1.0_dp
-      END IF
-      IF (PRESENT(a2)) THEN
-         p2 = a2
-      ELSE
-         p2 = 0.0_dp
-      END IF
-
-      data_type = dbcsr_get_data_type(matrix_a)
-      CALL dbcsr_data_init(a_data)
-      CALL dbcsr_data_new(a_data, data_type)
-      CALL dbcsr_iterator_start(iter, matrix_a)
-      DO WHILE (dbcsr_iterator_blocks_left(iter))
-         CALL dbcsr_iterator_next_block(iter, row, col, a_data, tr_a, blk, &
-                                        row_size=row_size, col_size=col_size)
-         nze = row_size*col_size
-         SELECT CASE (data_type)
-            !CASE (dbcsr_type_real_4)
-            !   a_data%d%r_sp(1:nze) = 1.0_real_4/a_data%d%r_sp(1:nze)
-            !   IF(MAXVAL(ABS(a_data%d%r_sp)).GE.HUGE(0.0_real_4))&
-            !      DBCSR_ABORT("Division by zero")
-         CASE (dbcsr_type_real_8)
-            SELECT CASE (func)
-            CASE (dbcsr_func_spread_from_zero)
-               ! if |x|<|a0| then x=|a0|*sign(x)
-               DO ielem = 1, nze
-                  IF (ABS(a_data%d%r_dp(ielem)) .LT. ABS(p0)) THEN
-                     a_data%d%r_dp(ielem) = SIGN(p0, a_data%d%r_dp(ielem))
-                  END IF
-               END DO
-            CASE (dbcsr_func_truncate)
-               ! if |x|>|a0| then x=|a0|*sign(x)
-               DO ielem = 1, nze
-                  IF (ABS(a_data%d%r_dp(ielem)) .GT. ABS(p0)) THEN
-                     a_data%d%r_dp(ielem) = SIGN(p0, a_data%d%r_dp(ielem))
-                  END IF
-               END DO
-            CASE (dbcsr_func_inverse_special)
-               !IF (MINVAL(ABS(a_data%d%r_dp)).le.ABS(p2)) THEN
-               !   ! there is at least one near-zero element,
-               !   ! invert element-by-element
-               !   DO ielem=1,nze
-               !     IF (a_data%d%r_dp(ielem).le.ABS(p2)) THEN
-               !        a_data%d%r_dp(ielem) = 0.0_real_8
-               !     ELSE
-               !        a_data%d%r_dp(ielem) = &
-               !           1.0_real_8/(p1*a_data%d%r_dp(ielem)+p0)
-               !     ENDIF
-               !   ENDDO
-               !ELSE
-               !   a_data%d%r_dp(1:nze) = 1.0_real_8/(p1*a_data%d%r_dp(1:nze)+p0)
-               !ENDIF
-               a_data%d%r_dp(1:nze) = 1.0_real_8/(a_data%d%r_dp(1:nze) + SIGN(p0, a_data%d%r_dp(1:nze)))
-            CASE (dbcsr_func_inverse)
-               a_data%d%r_dp(1:nze) = 1.0_real_8/(p1*a_data%d%r_dp(1:nze) + p0)
-               IF (MAXVAL(ABS(a_data%d%r_dp)) .GE. HUGE(0.0_real_8)) &
-                  DBCSR_ABORT("Division by zero")
-            CASE (dbcsr_func_tanh)
-               a_data%d%r_dp(1:nze) = TANH(p1*a_data%d%r_dp(1:nze) + p0)
-            CASE (dbcsr_func_dtanh)
-               a_data%d%r_dp(1:nze) = TANH(p1*a_data%d%r_dp(1:nze) + p0)
-               a_data%d%r_dp(1:nze) = a_data%d%r_dp(1:nze)**2
-               a_data%d%r_dp(1:nze) = p1*(1.0_real_8 - a_data%d%r_dp(1:nze))
-            CASE (dbcsr_func_ddtanh)
-               a_data%d%r_dp(1:nze) = TANH(p1*a_data%d%r_dp(1:nze) + p0)
-               a_data%d%r_dp(1:nze) = a_data%d%r_dp(1:nze)**3 - a_data%d%r_dp(1:nze)
-               a_data%d%r_dp(1:nze) = 2.0_real_8*(p1**2)*a_data%d%r_dp(1:nze)
-            CASE (dbcsr_func_artanh)
-               a_data%d%r_dp(1:nze) = p1*a_data%d%r_dp(1:nze) + p0
-               IF (MAXVAL(ABS(a_data%d%r_dp)) .GE. 1.0_real_8) &
-                  DBCSR_ABORT("ARTANH is undefined for |x|>=1")
-               a_data%d%r_dp(1:nze) = (1.0_real_8 + a_data%d%r_dp(1:nze)) &
-                                      /(1.0_real_8 - a_data%d%r_dp(1:nze))
-               a_data%d%r_dp(1:nze) = 0.5_real_8*LOG(a_data%d%r_dp(1:nze))
-            CASE (dbcsr_func_sin)
-               a_data%d%r_dp(1:nze) = SIN(p1*a_data%d%r_dp(1:nze) + p0)
-            CASE (dbcsr_func_cos)
-               a_data%d%r_dp(1:nze) = COS(p1*a_data%d%r_dp(1:nze) + p0)
-            CASE (dbcsr_func_dsin)
-               a_data%d%r_dp(1:nze) = p1*COS(p1*a_data%d%r_dp(1:nze) + p0)
-            CASE (dbcsr_func_ddsin)
-               a_data%d%r_dp(1:nze) = -p1*p1*SIN(p1*a_data%d%r_dp(1:nze) + p0)
-            CASE (dbcsr_func_asin)
-               a_data%d%r_dp(1:nze) = p1*a_data%d%r_dp(1:nze) + p0
-               IF (MAXVAL(ABS(a_data%d%r_dp)) .GT. 1.0_real_8) &
-                  DBCSR_ABORT("ASIN is undefined for |x|>1")
-               a_data%d%r_dp(1:nze) = ASIN(a_data%d%r_dp(1:nze))
-            CASE DEFAULT
-               DBCSR_ABORT("Unknown function of matrix elements")
-            END SELECT
-            !CASE (dbcsr_type_complex_4)
-            !CASE (dbcsr_type_complex_8)
-         CASE DEFAULT
-            DBCSR_ABORT("Operation is implemented only for dp real values")
-         END SELECT
-      END DO
-      CALL dbcsr_iterator_stop(iter)
-      CALL dbcsr_data_clear_pointer(a_data)
-      CALL dbcsr_data_release(a_data)
-      CALL timestop(handle)
-
+      CALL dbcsr_function_of_elements_prv(matrix_a%prv, func, a0, a1, a2)
    END SUBROUTINE dbcsr_function_of_elements
    diff --git a/develop/proc/dbcsr_function_of_elements~2.html b/develop/proc/dbcsr_function_of_elements~2.html index 1bfc4506f87..7db318343ff 100644 --- a/develop/proc/dbcsr_function_of_elements~2.html +++ b/develop/proc/dbcsr_function_of_elements~2.html @@ -74,20 +74,20 @@

    dbcsr_function_of_elements
  • 6 statements + title=" 0.1% of total for procedures.">92 statements
  • - Source File + Source File
    • @@ -143,6 +143,28 @@

    public subroutine dbcsr_function_of_elements(matrix_a, func, a0, a1, a2)

    +

    Computes various functions (defined by func) of matrix elements

    +
    +

    Note

    +

    sign(A,B) returns the value of A with the sign of B +dbcsr_func_inverse: 1/(a1x+a0) +fails if the inversion produces infinite numbers +dbcsr_func_inverse_special: 1/(x+sign(a0,x)) +safe inverse: if a0>0 then the denominator is never zero +dbcsr_func_tanh: tanh(a1x+a0) +dbcsr_func_dtanh: d(tanh(a1x+a0)) / dx +dbcsr_func_ddtanh: d2(tanh(a1x+a0)) / dx2 +dbcsr_func_artanh: artanh(a1x+a0)=ln[(1+(a1x+a0))/(1-(a1x+a0))]/2 +fails if |a1x+a0| >= 1 +dbcsr_func_sread_from_zero: if |x|<|a0| then x=sign(a0,x) +dbcsr_func_truncate: if |x|>|a0| then x=sign(a0,x) +dbcsr_func_sin: sin(a1x+a0) +dbcsr_func_cos: cos(a1x+a0) +dbcsr_func_dsin: d(sin(a1x+a0)) / dx = a1cos(a1x+a0) +dbcsr_func_ddsin: d2(sin(a1x+a0)) / dx2 = -a1a1sin(a1x+a0) +dbcsr_func_asin: asin(a1x+a0) +fails if |a1*x+a0| > 1

    +

    Arguments

    @@ -158,8 +180,8 @@

    Arguments

    @@ -249,11 +271,153 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_function_of_elements(matrix_a, func, a0, a1, a2)
+      !! Computes various functions (defined by func) of matrix elements
+      !! @note  sign(A,B) returns the value of A with the sign of B
+      !! dbcsr_func_inverse:   1/(a1*x+a0)
+      !! fails if the inversion produces infinite numbers
+      !! dbcsr_func_inverse_special: 1/(x+sign(a0,x))
+      !! safe inverse: if a0>0 then the denominator is never zero
+      !! dbcsr_func_tanh:    tanh(a1*x+a0)
+      !! dbcsr_func_dtanh:   d(tanh(a1*x+a0)) / dx
+      !! dbcsr_func_ddtanh:  d2(tanh(a1*x+a0)) / dx2
+      !! dbcsr_func_artanh:  artanh(a1*x+a0)=ln[(1+(a1*x+a0))/(1-(a1*x+a0))]/2
+      !! fails if |a1*x+a0| >= 1
+      !! dbcsr_func_sread_from_zero:  if |x|<|a0| then x=sign(a0,x)
+      !! dbcsr_func_truncate:  if |x|>|a0| then x=sign(a0,x)
+      !! dbcsr_func_sin:     sin(a1*x+a0)
+      !! dbcsr_func_cos:     cos(a1*x+a0)
+      !! dbcsr_func_dsin:    d(sin(a1*x+a0)) / dx = a1*cos(a1*x+a0)
+      !! dbcsr_func_ddsin:   d2(sin(a1*x+a0)) / dx2 = -a1*a1*sin(a1*x+a0)
+      !! dbcsr_func_asin:    asin(a1*x+a0)
+      !! fails if |a1*x+a0| > 1
+
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
+         !! DBCSR matrix
       INTEGER, INTENT(IN)                                :: func
       REAL(kind=dp), INTENT(IN), OPTIONAL                :: a0, a1, a2
 
-      CALL dbcsr_function_of_elements_prv(matrix_a%prv, func, a0, a1, a2)
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_function_of_elements'
+
+      INTEGER                                            :: blk, col, col_size, data_type, handle, &
+                                                            ielem, nze, row, row_size
+      LOGICAL                                            :: tr_a
+      REAL(kind=dp)                                      :: p0, p1, p2
+      TYPE(dbcsr_data_obj)                               :: a_data
+      TYPE(dbcsr_iterator)                               :: iter
+
+!   ---------------------------------------------------------------------------
+
+      CALL timeset(routineN, handle)
+
+      IF (PRESENT(a0)) THEN
+         p0 = a0
+      ELSE
+         p0 = 0.0_dp
+      END IF
+      IF (PRESENT(a1)) THEN
+         p1 = a1
+      ELSE
+         p1 = 1.0_dp
+      END IF
+      IF (PRESENT(a2)) THEN
+         p2 = a2
+      ELSE
+         p2 = 0.0_dp
+      END IF
+
+      data_type = dbcsr_get_data_type(matrix_a)
+      CALL dbcsr_data_init(a_data)
+      CALL dbcsr_data_new(a_data, data_type)
+      CALL dbcsr_iterator_start(iter, matrix_a)
+      DO WHILE (dbcsr_iterator_blocks_left(iter))
+         CALL dbcsr_iterator_next_block(iter, row, col, a_data, tr_a, blk, &
+                                        row_size=row_size, col_size=col_size)
+         nze = row_size*col_size
+         SELECT CASE (data_type)
+            !CASE (dbcsr_type_real_4)
+            !   a_data%d%r_sp(1:nze) = 1.0_real_4/a_data%d%r_sp(1:nze)
+            !   IF(MAXVAL(ABS(a_data%d%r_sp)).GE.HUGE(0.0_real_4))&
+            !      DBCSR_ABORT("Division by zero")
+         CASE (dbcsr_type_real_8)
+            SELECT CASE (func)
+            CASE (dbcsr_func_spread_from_zero)
+               ! if |x|<|a0| then x=|a0|*sign(x)
+               DO ielem = 1, nze
+                  IF (ABS(a_data%d%r_dp(ielem)) .LT. ABS(p0)) THEN
+                     a_data%d%r_dp(ielem) = SIGN(p0, a_data%d%r_dp(ielem))
+                  END IF
+               END DO
+            CASE (dbcsr_func_truncate)
+               ! if |x|>|a0| then x=|a0|*sign(x)
+               DO ielem = 1, nze
+                  IF (ABS(a_data%d%r_dp(ielem)) .GT. ABS(p0)) THEN
+                     a_data%d%r_dp(ielem) = SIGN(p0, a_data%d%r_dp(ielem))
+                  END IF
+               END DO
+            CASE (dbcsr_func_inverse_special)
+               !IF (MINVAL(ABS(a_data%d%r_dp)).le.ABS(p2)) THEN
+               !   ! there is at least one near-zero element,
+               !   ! invert element-by-element
+               !   DO ielem=1,nze
+               !     IF (a_data%d%r_dp(ielem).le.ABS(p2)) THEN
+               !        a_data%d%r_dp(ielem) = 0.0_real_8
+               !     ELSE
+               !        a_data%d%r_dp(ielem) = &
+               !           1.0_real_8/(p1*a_data%d%r_dp(ielem)+p0)
+               !     ENDIF
+               !   ENDDO
+               !ELSE
+               !   a_data%d%r_dp(1:nze) = 1.0_real_8/(p1*a_data%d%r_dp(1:nze)+p0)
+               !ENDIF
+               a_data%d%r_dp(1:nze) = 1.0_real_8/(a_data%d%r_dp(1:nze) + SIGN(p0, a_data%d%r_dp(1:nze)))
+            CASE (dbcsr_func_inverse)
+               a_data%d%r_dp(1:nze) = 1.0_real_8/(p1*a_data%d%r_dp(1:nze) + p0)
+               IF (MAXVAL(ABS(a_data%d%r_dp)) .GE. HUGE(0.0_real_8)) &
+                  DBCSR_ABORT("Division by zero")
+            CASE (dbcsr_func_tanh)
+               a_data%d%r_dp(1:nze) = TANH(p1*a_data%d%r_dp(1:nze) + p0)
+            CASE (dbcsr_func_dtanh)
+               a_data%d%r_dp(1:nze) = TANH(p1*a_data%d%r_dp(1:nze) + p0)
+               a_data%d%r_dp(1:nze) = a_data%d%r_dp(1:nze)**2
+               a_data%d%r_dp(1:nze) = p1*(1.0_real_8 - a_data%d%r_dp(1:nze))
+            CASE (dbcsr_func_ddtanh)
+               a_data%d%r_dp(1:nze) = TANH(p1*a_data%d%r_dp(1:nze) + p0)
+               a_data%d%r_dp(1:nze) = a_data%d%r_dp(1:nze)**3 - a_data%d%r_dp(1:nze)
+               a_data%d%r_dp(1:nze) = 2.0_real_8*(p1**2)*a_data%d%r_dp(1:nze)
+            CASE (dbcsr_func_artanh)
+               a_data%d%r_dp(1:nze) = p1*a_data%d%r_dp(1:nze) + p0
+               IF (MAXVAL(ABS(a_data%d%r_dp)) .GE. 1.0_real_8) &
+                  DBCSR_ABORT("ARTANH is undefined for |x|>=1")
+               a_data%d%r_dp(1:nze) = (1.0_real_8 + a_data%d%r_dp(1:nze)) &
+                                      /(1.0_real_8 - a_data%d%r_dp(1:nze))
+               a_data%d%r_dp(1:nze) = 0.5_real_8*LOG(a_data%d%r_dp(1:nze))
+            CASE (dbcsr_func_sin)
+               a_data%d%r_dp(1:nze) = SIN(p1*a_data%d%r_dp(1:nze) + p0)
+            CASE (dbcsr_func_cos)
+               a_data%d%r_dp(1:nze) = COS(p1*a_data%d%r_dp(1:nze) + p0)
+            CASE (dbcsr_func_dsin)
+               a_data%d%r_dp(1:nze) = p1*COS(p1*a_data%d%r_dp(1:nze) + p0)
+            CASE (dbcsr_func_ddsin)
+               a_data%d%r_dp(1:nze) = -p1*p1*SIN(p1*a_data%d%r_dp(1:nze) + p0)
+            CASE (dbcsr_func_asin)
+               a_data%d%r_dp(1:nze) = p1*a_data%d%r_dp(1:nze) + p0
+               IF (MAXVAL(ABS(a_data%d%r_dp)) .GT. 1.0_real_8) &
+                  DBCSR_ABORT("ASIN is undefined for |x|>1")
+               a_data%d%r_dp(1:nze) = ASIN(a_data%d%r_dp(1:nze))
+            CASE DEFAULT
+               DBCSR_ABORT("Unknown function of matrix elements")
+            END SELECT
+            !CASE (dbcsr_type_complex_4)
+            !CASE (dbcsr_type_complex_8)
+         CASE DEFAULT
+            DBCSR_ABORT("Operation is implemented only for dp real values")
+         END SELECT
+      END DO
+      CALL dbcsr_iterator_stop(iter)
+      CALL dbcsr_data_clear_pointer(a_data)
+      CALL dbcsr_data_release(a_data)
+      CALL timestop(handle)
+
    END SUBROUTINE dbcsr_function_of_elements
    diff --git a/develop/proc/dbcsr_gatherv_any.html b/develop/proc/dbcsr_gatherv_any.html index 6fb5225b4f7..6a2ea1f81bd 100644 --- a/develop/proc/dbcsr_gatherv_any.html +++ b/develop/proc/dbcsr_gatherv_any.html @@ -159,7 +159,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -249,7 +249,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_gershgorin_norm.html b/develop/proc/dbcsr_gershgorin_norm.html index aebddfd997c..bf62ca6ec7e 100644 --- a/develop/proc/dbcsr_gershgorin_norm.html +++ b/develop/proc/dbcsr_gershgorin_norm.html @@ -74,20 +74,20 @@

    dbcsr_gershgorin_norm
  • 65 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public function dbcsr_gershgorin_norm(matrix) result(norm)

    -

    compute a norm of a dbcsr matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -177,7 +176,7 @@

    Arguments

    Return Value - + real(kind=real_8)

    @@ -197,94 +196,10 @@

    Return Value

    Source Code

       FUNCTION dbcsr_gershgorin_norm(matrix) RESULT(norm)
-      !! compute a norm of a dbcsr matrix
-
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         !! the matrix
       REAL(KIND=real_8)                                  :: norm
 
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_gershgorin_norm'
-
-      COMPLEX(KIND=real_4), DIMENSION(:, :), POINTER     :: data_c
-      COMPLEX(KIND=real_8), DIMENSION(:, :), POINTER     :: data_z
-      INTEGER                                            :: blk, col, col_offset, handle, i, j, nc, &
-                                                            nr, row, row_offset
-      LOGICAL                                            :: any_sym, tr
-      REAL(KIND=real_4), DIMENSION(:, :), POINTER        :: data_r
-      REAL(KIND=real_8), DIMENSION(:, :), POINTER        :: data_d
-      REAL(real_8), ALLOCATABLE, DIMENSION(:)            :: buff_d
-      TYPE(dbcsr_iterator)                               :: iter
-
-      CALL timeset(routineN, handle)
-
-      nr = dbcsr_nfullrows_total(matrix)
-      nc = dbcsr_nfullcols_total(matrix)
-
-      any_sym = dbcsr_get_matrix_type(matrix) .EQ. dbcsr_type_symmetric .OR. &
-                dbcsr_get_matrix_type(matrix) .EQ. dbcsr_type_antisymmetric
-
-      IF (nr .NE. nc) &
-         DBCSR_ABORT("not a square matrix")
-
-      norm = 0.0_dp
-      ALLOCATE (buff_d(nr))
-      buff_d = 0.0_dp
-      CALL dbcsr_iterator_start(iter, matrix)
-      DO WHILE (dbcsr_iterator_blocks_left(iter))
-         SELECT CASE (dbcsr_get_data_type(matrix))
-         CASE (dbcsr_type_real_4)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_r, tr, blk, &
-                                           row_offset=row_offset, col_offset=col_offset)
-            DO j = 1, SIZE(data_r, 2)
-            DO i = 1, SIZE(data_r, 1)
-               buff_d(row_offset + i - 1) = buff_d(row_offset + i - 1) + ABS(data_r(i, j))
-               IF (any_sym .AND. row .NE. col) &
-                  buff_d(col_offset + j - 1) = buff_d(col_offset + j - 1) + ABS(data_r(i, j))
-            END DO
-            END DO
-         CASE (dbcsr_type_real_8)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_d, tr, blk, &
-                                           row_offset=row_offset, col_offset=col_offset)
-            DO j = 1, SIZE(data_d, 2)
-            DO i = 1, SIZE(data_d, 1)
-               buff_d(row_offset + i - 1) = buff_d(row_offset + i - 1) + ABS(data_d(i, j))
-               IF (any_sym .AND. row .NE. col) &
-                  buff_d(col_offset + j - 1) = buff_d(col_offset + j - 1) + ABS(data_d(i, j))
-            END DO
-            END DO
-         CASE (dbcsr_type_complex_4)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_c, tr, blk, &
-                                           row_offset=row_offset, col_offset=col_offset)
-            DO j = 1, SIZE(data_c, 2)
-            DO i = 1, SIZE(data_c, 1)
-               buff_d(row_offset + i - 1) = buff_d(row_offset + i - 1) + ABS(data_c(i, j))
-               IF (any_sym .AND. row .NE. col) &
-                  DBCSR_ABORT("Only nonsymmetric matrix so far")
-               !     buff_d(col_offset+j-1) = buff_d(col_offset+j-1) + ABS(data_c(i,j))
-            END DO
-            END DO
-         CASE (dbcsr_type_complex_8)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_z, tr, blk, &
-                                           row_offset=row_offset, col_offset=col_offset)
-            DO j = 1, SIZE(data_z, 2)
-            DO i = 1, SIZE(data_z, 1)
-               buff_d(row_offset + i - 1) = buff_d(row_offset + i - 1) + ABS(data_z(i, j))
-               IF (any_sym .AND. row .NE. col) &
-                  DBCSR_ABORT("Only nonsymmetric matrix so far")
-               !     buff_d(col_offset+j-1) = buff_d(col_offset+j-1) + ABS(data_z(i,j))
-            END DO
-            END DO
-         CASE DEFAULT
-            DBCSR_ABORT("Wrong data type")
-         END SELECT
-      END DO
-      CALL dbcsr_iterator_stop(iter)
-      CALL mp_sum(buff_d, dbcsr_mp_group(dbcsr_distribution_mp(matrix%dist)))
-      norm = MAXVAL(buff_d)
-      DEALLOCATE (buff_d)
-
-      CALL timestop(handle)
-
+      norm = dbcsr_gershgorin_norm_prv(matrix%prv)
    END FUNCTION dbcsr_gershgorin_norm
    diff --git a/develop/proc/dbcsr_gershgorin_norm~2.html b/develop/proc/dbcsr_gershgorin_norm~2.html index 28747267e97..bd24fa2afc6 100644 --- a/develop/proc/dbcsr_gershgorin_norm~2.html +++ b/develop/proc/dbcsr_gershgorin_norm~2.html @@ -74,20 +74,20 @@

    dbcsr_gershgorin_norm
  • 5 statements + title=" 0.1% of total for procedures.">65 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public function dbcsr_gershgorin_norm(matrix) result(norm)

    +

    compute a norm of a dbcsr matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -196,10 +197,94 @@

    Return Value

    Source Code

       FUNCTION dbcsr_gershgorin_norm(matrix) RESULT(norm)
+      !! compute a norm of a dbcsr matrix
+
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
+         !! the matrix
       REAL(KIND=real_8)                                  :: norm
 
-      norm = dbcsr_gershgorin_norm_prv(matrix%prv)
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_gershgorin_norm'
+
+      COMPLEX(KIND=real_4), DIMENSION(:, :), POINTER     :: data_c
+      COMPLEX(KIND=real_8), DIMENSION(:, :), POINTER     :: data_z
+      INTEGER                                            :: blk, col, col_offset, handle, i, j, nc, &
+                                                            nr, row, row_offset
+      LOGICAL                                            :: any_sym, tr
+      REAL(KIND=real_4), DIMENSION(:, :), POINTER        :: data_r
+      REAL(KIND=real_8), DIMENSION(:, :), POINTER        :: data_d
+      REAL(real_8), ALLOCATABLE, DIMENSION(:)            :: buff_d
+      TYPE(dbcsr_iterator)                               :: iter
+
+      CALL timeset(routineN, handle)
+
+      nr = dbcsr_nfullrows_total(matrix)
+      nc = dbcsr_nfullcols_total(matrix)
+
+      any_sym = dbcsr_get_matrix_type(matrix) .EQ. dbcsr_type_symmetric .OR. &
+                dbcsr_get_matrix_type(matrix) .EQ. dbcsr_type_antisymmetric
+
+      IF (nr .NE. nc) &
+         DBCSR_ABORT("not a square matrix")
+
+      norm = 0.0_dp
+      ALLOCATE (buff_d(nr))
+      buff_d = 0.0_dp
+      CALL dbcsr_iterator_start(iter, matrix)
+      DO WHILE (dbcsr_iterator_blocks_left(iter))
+         SELECT CASE (dbcsr_get_data_type(matrix))
+         CASE (dbcsr_type_real_4)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_r, tr, blk, &
+                                           row_offset=row_offset, col_offset=col_offset)
+            DO j = 1, SIZE(data_r, 2)
+            DO i = 1, SIZE(data_r, 1)
+               buff_d(row_offset + i - 1) = buff_d(row_offset + i - 1) + ABS(data_r(i, j))
+               IF (any_sym .AND. row .NE. col) &
+                  buff_d(col_offset + j - 1) = buff_d(col_offset + j - 1) + ABS(data_r(i, j))
+            END DO
+            END DO
+         CASE (dbcsr_type_real_8)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_d, tr, blk, &
+                                           row_offset=row_offset, col_offset=col_offset)
+            DO j = 1, SIZE(data_d, 2)
+            DO i = 1, SIZE(data_d, 1)
+               buff_d(row_offset + i - 1) = buff_d(row_offset + i - 1) + ABS(data_d(i, j))
+               IF (any_sym .AND. row .NE. col) &
+                  buff_d(col_offset + j - 1) = buff_d(col_offset + j - 1) + ABS(data_d(i, j))
+            END DO
+            END DO
+         CASE (dbcsr_type_complex_4)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_c, tr, blk, &
+                                           row_offset=row_offset, col_offset=col_offset)
+            DO j = 1, SIZE(data_c, 2)
+            DO i = 1, SIZE(data_c, 1)
+               buff_d(row_offset + i - 1) = buff_d(row_offset + i - 1) + ABS(data_c(i, j))
+               IF (any_sym .AND. row .NE. col) &
+                  DBCSR_ABORT("Only nonsymmetric matrix so far")
+               !     buff_d(col_offset+j-1) = buff_d(col_offset+j-1) + ABS(data_c(i,j))
+            END DO
+            END DO
+         CASE (dbcsr_type_complex_8)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_z, tr, blk, &
+                                           row_offset=row_offset, col_offset=col_offset)
+            DO j = 1, SIZE(data_z, 2)
+            DO i = 1, SIZE(data_z, 1)
+               buff_d(row_offset + i - 1) = buff_d(row_offset + i - 1) + ABS(data_z(i, j))
+               IF (any_sym .AND. row .NE. col) &
+                  DBCSR_ABORT("Only nonsymmetric matrix so far")
+               !     buff_d(col_offset+j-1) = buff_d(col_offset+j-1) + ABS(data_z(i,j))
+            END DO
+            END DO
+         CASE DEFAULT
+            DBCSR_ABORT("Wrong data type")
+         END SELECT
+      END DO
+      CALL dbcsr_iterator_stop(iter)
+      CALL mp_sum(buff_d, dbcsr_mp_group(dbcsr_distribution_mp(matrix%dist)))
+      norm = MAXVAL(buff_d)
+      DEALLOCATE (buff_d)
+
+      CALL timestop(handle)
+
    END FUNCTION dbcsr_gershgorin_norm
    diff --git a/develop/proc/dbcsr_get_2d_block_notrans_p_c.html b/develop/proc/dbcsr_get_2d_block_notrans_p_c.html index 8db23c9a067..9dce7d7d141 100644 --- a/develop/proc/dbcsr_get_2d_block_notrans_p_c.html +++ b/develop/proc/dbcsr_get_2d_block_notrans_p_c.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -233,7 +233,7 @@

    Arguments

    @@ -248,7 +248,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_2d_block_notrans_p_d.html b/develop/proc/dbcsr_get_2d_block_notrans_p_d.html index 29a0666a00f..45b51bc043c 100644 --- a/develop/proc/dbcsr_get_2d_block_notrans_p_d.html +++ b/develop/proc/dbcsr_get_2d_block_notrans_p_d.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -233,7 +233,7 @@

    Arguments

    @@ -248,7 +248,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_2d_block_notrans_p_s.html b/develop/proc/dbcsr_get_2d_block_notrans_p_s.html index 739b2fa86af..8757a11ff04 100644 --- a/develop/proc/dbcsr_get_2d_block_notrans_p_s.html +++ b/develop/proc/dbcsr_get_2d_block_notrans_p_s.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -233,7 +233,7 @@

    Arguments

    @@ -248,7 +248,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_2d_block_notrans_p_z.html b/develop/proc/dbcsr_get_2d_block_notrans_p_z.html index ba33cf54174..de3473f59b9 100644 --- a/develop/proc/dbcsr_get_2d_block_notrans_p_z.html +++ b/develop/proc/dbcsr_get_2d_block_notrans_p_z.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -233,7 +233,7 @@

    Arguments

    @@ -248,7 +248,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_2d_block_p_c.html b/develop/proc/dbcsr_get_2d_block_p_c.html index 84d9d227d1b..7cf5a0b70ec 100644 --- a/develop/proc/dbcsr_get_2d_block_p_c.html +++ b/develop/proc/dbcsr_get_2d_block_p_c.html @@ -74,20 +74,20 @@

    dbcsr_get_2d_block_p_c
  • 50 statements + title=" 0.0% of total for procedures.">9 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, foun

    -

    Gets a 2-d block from a dbcsr matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,12 +243,12 @@

    Arguments

    @@ -261,13 +258,12 @@

    Arguments

    @@ -277,8 +273,7 @@

    Arguments

    @@ -298,86 +293,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_2d_block_p_c (matrix, row, col, block, tr, found, &
-                                                     row_size, col_size)
-     !! Gets a 2-d block from a dbcsr matrix
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_get_2d_block_p_c (matrix, row, col, block, tr, found, row_size, col_size)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER         :: block
-        !! the block to get (rank-2 array)
-         LOGICAL, INTENT(OUT)                     :: tr
-        !! whether the data is transposed
+         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER        :: block
+         LOGICAL, INTENT(OUT)                     :: tr
          LOGICAL, INTENT(OUT)                     :: found
-        !! whether the block exists in the matrix
          INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
-        !! logical row size of block
-        !! logical column size of block
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_2d_block_p_c'
-
-         COMPLEX(kind=real_4), DIMENSION(:), POINTER         :: block_1d
-         INTEGER                                  :: rsize, csize, &
-                                                     blk, nze, offset, &
-                                                     stored_row, &
-                                                     stored_col, iw, nwms
-         INTEGER                                  :: error_handle
-         TYPE(btree_data_cp2d)          :: data_block
-         LOGICAL                                  :: stored_tr
-         COMPLEX(kind=real_4), DIMENSION(1, 1), TARGET, SAVE    :: block0
-!   ---------------------------------------------------------------------------
-         IF (careful_mod) CALL timeset(routineN, error_handle)
-         IF (debug_mod) THEN
-            IF (matrix%data_type /= dbcsr_type_complex_4) &
-               DBCSR_ABORT("Data type mismatch for requested block.")
-         END IF
-
-         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
-                                    stored_tr, found, blk, offset)
-         tr = stored_tr
-
-         rsize = dbcsr_blk_row_size(matrix, stored_row)
-         csize = dbcsr_blk_column_size(matrix, stored_col)
-         IF (PRESENT(row_size)) row_size = rsize
-         IF (PRESENT(col_size)) col_size = csize
 
-         NULLIFY (block)
-         IF (found) THEN
-            nze = rsize*csize
-            IF (nze .eq. 0) THEN
-               found = .TRUE.
-               block => block0(1:0, 1:0)
-            ELSE
-               block_1d => pointer_view(dbcsr_get_data_p( &
-                                        matrix%data_area, CMPLX(0.0, 0.0, real_4)), offset, offset + nze - 1)
-               CALL dbcsr_set_block_pointer(matrix, block, rsize, csize, offset)
-            END IF
-         ELSEIF (ASSOCIATED(matrix%wms)) THEN
-            nwms = SIZE(matrix%wms)
-            iw = 1
-!$          IF (nwms < omp_get_num_threads()) &
-!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$          iw = omp_get_thread_num() + 1
-            IF (.NOT. dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
-            IF (dbcsr_use_mutable(matrix)) THEN
-               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
-                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
-                                         dbcsr_get_data_type(matrix))
-               END IF
-               CALL btree_find( &
-                  matrix%wms(iw)%mutable%m%btree_c, &
-                  make_coordinate_tuple(stored_row, stored_col), &
-                  data_block, found)
-               IF (found) THEN
-                  block => data_block%p
-               END IF
-            END IF
-         END IF
-         IF (careful_mod) CALL timestop(error_handle)
+         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
       END SUBROUTINE dbcsr_get_2d_block_p_c
 
    
 
diff --git a/develop/proc/dbcsr_get_2d_block_p_c~2.html b/develop/proc/dbcsr_get_2d_block_p_c~2.html
index 86fd8ecab8d..5dca33c0ebb 100644
--- a/develop/proc/dbcsr_get_2d_block_p_c~2.html
+++ b/develop/proc/dbcsr_get_2d_block_p_c~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_get_2d_block_p_c
 
             
  • 
               9 statements
+                 title=" 0.1% of total for procedures.">50 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,6 +143,7 @@

    private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, foun

    +

    Gets a 2-d block from a dbcsr matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,12 +231,12 @@

    Arguments

    @@ -243,12 +246,12 @@

    Arguments

    @@ -258,12 +261,13 @@

    Arguments

    @@ -273,7 +277,8 @@

    Arguments

    @@ -293,15 +298,86 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_2d_block_p_c (matrix, row, col, block, tr, found, row_size, col_size)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_get_2d_block_p_c (matrix, row, col, block, tr, found, &
+                                                     row_size, col_size)
+     !! Gets a 2-d block from a dbcsr matrix
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER        :: block
-         LOGICAL, INTENT(OUT)                     :: tr
+        !! the row
+        !! the column
+         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER         :: block
+        !! the block to get (rank-2 array)
+         LOGICAL, INTENT(OUT)                     :: tr
+        !! whether the data is transposed
          LOGICAL, INTENT(OUT)                     :: found
+        !! whether the block exists in the matrix
          INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
+        !! logical row size of block
+        !! logical column size of block
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_2d_block_p_c'
+
+         COMPLEX(kind=real_4), DIMENSION(:), POINTER         :: block_1d
+         INTEGER                                  :: rsize, csize, &
+                                                     blk, nze, offset, &
+                                                     stored_row, &
+                                                     stored_col, iw, nwms
+         INTEGER                                  :: error_handle
+         TYPE(btree_data_cp2d)          :: data_block
+         LOGICAL                                  :: stored_tr
+         COMPLEX(kind=real_4), DIMENSION(1, 1), TARGET, SAVE    :: block0
+!   ---------------------------------------------------------------------------
+         IF (careful_mod) CALL timeset(routineN, error_handle)
+         IF (debug_mod) THEN
+            IF (matrix%data_type /= dbcsr_type_complex_4) &
+               DBCSR_ABORT("Data type mismatch for requested block.")
+         END IF
+
+         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
+                                    stored_tr, found, blk, offset)
+         tr = stored_tr
+
+         rsize = dbcsr_blk_row_size(matrix, stored_row)
+         csize = dbcsr_blk_column_size(matrix, stored_col)
+         IF (PRESENT(row_size)) row_size = rsize
+         IF (PRESENT(col_size)) col_size = csize
 
-         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
+         NULLIFY (block)
+         IF (found) THEN
+            nze = rsize*csize
+            IF (nze .eq. 0) THEN
+               found = .TRUE.
+               block => block0(1:0, 1:0)
+            ELSE
+               block_1d => pointer_view(dbcsr_get_data_p( &
+                                        matrix%data_area, CMPLX(0.0, 0.0, real_4)), offset, offset + nze - 1)
+               CALL dbcsr_set_block_pointer(matrix, block, rsize, csize, offset)
+            END IF
+         ELSEIF (ASSOCIATED(matrix%wms)) THEN
+            nwms = SIZE(matrix%wms)
+            iw = 1
+!$          IF (nwms < omp_get_num_threads()) &
+!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$          iw = omp_get_thread_num() + 1
+            IF (.NOT. dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
+            IF (dbcsr_use_mutable(matrix)) THEN
+               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
+                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
+                                         dbcsr_get_data_type(matrix))
+               END IF
+               CALL btree_find( &
+                  matrix%wms(iw)%mutable%m%btree_c, &
+                  make_coordinate_tuple(stored_row, stored_col), &
+                  data_block, found)
+               IF (found) THEN
+                  block => data_block%p
+               END IF
+            END IF
+         END IF
+         IF (careful_mod) CALL timestop(error_handle)
       END SUBROUTINE dbcsr_get_2d_block_p_c
 
    
 
diff --git a/develop/proc/dbcsr_get_2d_block_p_d.html b/develop/proc/dbcsr_get_2d_block_p_d.html
index 82c34440985..54c3bbac9cc 100644
--- a/develop/proc/dbcsr_get_2d_block_p_d.html
+++ b/develop/proc/dbcsr_get_2d_block_p_d.html
@@ -74,20 +74,20 @@ 
    dbcsr_get_2d_block_p_d
 
             
  • 
               50 statements
+                 title=" 0.0% of total for procedures.">9 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,7 +143,6 @@

    private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, foun

    -

    Gets a 2-d block from a dbcsr matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,12 +243,12 @@

    Arguments

    @@ -261,13 +258,12 @@

    Arguments

    @@ -277,8 +273,7 @@

    Arguments

    @@ -298,86 +293,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_2d_block_p_d (matrix, row, col, block, tr, found, &
-                                                     row_size, col_size)
-     !! Gets a 2-d block from a dbcsr matrix
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_get_2d_block_p_d (matrix, row, col, block, tr, found, row_size, col_size)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         REAL(kind=real_8), DIMENSION(:, :), POINTER         :: block
-        !! the block to get (rank-2 array)
-         LOGICAL, INTENT(OUT)                     :: tr
-        !! whether the data is transposed
+         REAL(kind=real_8), DIMENSION(:, :), POINTER        :: block
+         LOGICAL, INTENT(OUT)                     :: tr
          LOGICAL, INTENT(OUT)                     :: found
-        !! whether the block exists in the matrix
          INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
-        !! logical row size of block
-        !! logical column size of block
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_2d_block_p_d'
-
-         REAL(kind=real_8), DIMENSION(:), POINTER         :: block_1d
-         INTEGER                                  :: rsize, csize, &
-                                                     blk, nze, offset, &
-                                                     stored_row, &
-                                                     stored_col, iw, nwms
-         INTEGER                                  :: error_handle
-         TYPE(btree_data_dp2d)          :: data_block
-         LOGICAL                                  :: stored_tr
-         REAL(kind=real_8), DIMENSION(1, 1), TARGET, SAVE    :: block0
-!   ---------------------------------------------------------------------------
-         IF (careful_mod) CALL timeset(routineN, error_handle)
-         IF (debug_mod) THEN
-            IF (matrix%data_type /= dbcsr_type_real_8) &
-               DBCSR_ABORT("Data type mismatch for requested block.")
-         END IF
-
-         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
-                                    stored_tr, found, blk, offset)
-         tr = stored_tr
-
-         rsize = dbcsr_blk_row_size(matrix, stored_row)
-         csize = dbcsr_blk_column_size(matrix, stored_col)
-         IF (PRESENT(row_size)) row_size = rsize
-         IF (PRESENT(col_size)) col_size = csize
 
-         NULLIFY (block)
-         IF (found) THEN
-            nze = rsize*csize
-            IF (nze .eq. 0) THEN
-               found = .TRUE.
-               block => block0(1:0, 1:0)
-            ELSE
-               block_1d => pointer_view(dbcsr_get_data_p( &
-                                        matrix%data_area, 0.0_real_8), offset, offset + nze - 1)
-               CALL dbcsr_set_block_pointer(matrix, block, rsize, csize, offset)
-            END IF
-         ELSEIF (ASSOCIATED(matrix%wms)) THEN
-            nwms = SIZE(matrix%wms)
-            iw = 1
-!$          IF (nwms < omp_get_num_threads()) &
-!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$          iw = omp_get_thread_num() + 1
-            IF (.NOT. dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
-            IF (dbcsr_use_mutable(matrix)) THEN
-               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
-                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
-                                         dbcsr_get_data_type(matrix))
-               END IF
-               CALL btree_find( &
-                  matrix%wms(iw)%mutable%m%btree_d, &
-                  make_coordinate_tuple(stored_row, stored_col), &
-                  data_block, found)
-               IF (found) THEN
-                  block => data_block%p
-               END IF
-            END IF
-         END IF
-         IF (careful_mod) CALL timestop(error_handle)
+         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
       END SUBROUTINE dbcsr_get_2d_block_p_d
 
    
 
diff --git a/develop/proc/dbcsr_get_2d_block_p_d~2.html b/develop/proc/dbcsr_get_2d_block_p_d~2.html
index d42a5fe66c4..c81208cb825 100644
--- a/develop/proc/dbcsr_get_2d_block_p_d~2.html
+++ b/develop/proc/dbcsr_get_2d_block_p_d~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_get_2d_block_p_d
 
             
  • 
               9 statements
+                 title=" 0.1% of total for procedures.">50 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,6 +143,7 @@

    private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, foun

    +

    Gets a 2-d block from a dbcsr matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,12 +231,12 @@

    Arguments

    @@ -243,12 +246,12 @@

    Arguments

    @@ -258,12 +261,13 @@

    Arguments

    @@ -273,7 +277,8 @@

    Arguments

    @@ -293,15 +298,86 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_2d_block_p_d (matrix, row, col, block, tr, found, row_size, col_size)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_get_2d_block_p_d (matrix, row, col, block, tr, found, &
+                                                     row_size, col_size)
+     !! Gets a 2-d block from a dbcsr matrix
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         REAL(kind=real_8), DIMENSION(:, :), POINTER        :: block
-         LOGICAL, INTENT(OUT)                     :: tr
+        !! the row
+        !! the column
+         REAL(kind=real_8), DIMENSION(:, :), POINTER         :: block
+        !! the block to get (rank-2 array)
+         LOGICAL, INTENT(OUT)                     :: tr
+        !! whether the data is transposed
          LOGICAL, INTENT(OUT)                     :: found
+        !! whether the block exists in the matrix
          INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
+        !! logical row size of block
+        !! logical column size of block
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_2d_block_p_d'
+
+         REAL(kind=real_8), DIMENSION(:), POINTER         :: block_1d
+         INTEGER                                  :: rsize, csize, &
+                                                     blk, nze, offset, &
+                                                     stored_row, &
+                                                     stored_col, iw, nwms
+         INTEGER                                  :: error_handle
+         TYPE(btree_data_dp2d)          :: data_block
+         LOGICAL                                  :: stored_tr
+         REAL(kind=real_8), DIMENSION(1, 1), TARGET, SAVE    :: block0
+!   ---------------------------------------------------------------------------
+         IF (careful_mod) CALL timeset(routineN, error_handle)
+         IF (debug_mod) THEN
+            IF (matrix%data_type /= dbcsr_type_real_8) &
+               DBCSR_ABORT("Data type mismatch for requested block.")
+         END IF
+
+         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
+                                    stored_tr, found, blk, offset)
+         tr = stored_tr
+
+         rsize = dbcsr_blk_row_size(matrix, stored_row)
+         csize = dbcsr_blk_column_size(matrix, stored_col)
+         IF (PRESENT(row_size)) row_size = rsize
+         IF (PRESENT(col_size)) col_size = csize
 
-         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
+         NULLIFY (block)
+         IF (found) THEN
+            nze = rsize*csize
+            IF (nze .eq. 0) THEN
+               found = .TRUE.
+               block => block0(1:0, 1:0)
+            ELSE
+               block_1d => pointer_view(dbcsr_get_data_p( &
+                                        matrix%data_area, 0.0_real_8), offset, offset + nze - 1)
+               CALL dbcsr_set_block_pointer(matrix, block, rsize, csize, offset)
+            END IF
+         ELSEIF (ASSOCIATED(matrix%wms)) THEN
+            nwms = SIZE(matrix%wms)
+            iw = 1
+!$          IF (nwms < omp_get_num_threads()) &
+!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$          iw = omp_get_thread_num() + 1
+            IF (.NOT. dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
+            IF (dbcsr_use_mutable(matrix)) THEN
+               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
+                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
+                                         dbcsr_get_data_type(matrix))
+               END IF
+               CALL btree_find( &
+                  matrix%wms(iw)%mutable%m%btree_d, &
+                  make_coordinate_tuple(stored_row, stored_col), &
+                  data_block, found)
+               IF (found) THEN
+                  block => data_block%p
+               END IF
+            END IF
+         END IF
+         IF (careful_mod) CALL timestop(error_handle)
       END SUBROUTINE dbcsr_get_2d_block_p_d
 
    
 
diff --git a/develop/proc/dbcsr_get_2d_block_p_s.html b/develop/proc/dbcsr_get_2d_block_p_s.html
index 2da9e8cd0b3..ccb4234388c 100644
--- a/develop/proc/dbcsr_get_2d_block_p_s.html
+++ b/develop/proc/dbcsr_get_2d_block_p_s.html
@@ -74,20 +74,20 @@ 
    dbcsr_get_2d_block_p_s
 
             
  • 
               50 statements
+                 title=" 0.0% of total for procedures.">9 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,7 +143,6 @@

    private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, foun

    -

    Gets a 2-d block from a dbcsr matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,12 +243,12 @@

    Arguments

    @@ -261,13 +258,12 @@

    Arguments

    @@ -277,8 +273,7 @@

    Arguments

    @@ -298,86 +293,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_2d_block_p_s (matrix, row, col, block, tr, found, &
-                                                     row_size, col_size)
-     !! Gets a 2-d block from a dbcsr matrix
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_get_2d_block_p_s (matrix, row, col, block, tr, found, row_size, col_size)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         REAL(kind=real_4), DIMENSION(:, :), POINTER         :: block
-        !! the block to get (rank-2 array)
-         LOGICAL, INTENT(OUT)                     :: tr
-        !! whether the data is transposed
+         REAL(kind=real_4), DIMENSION(:, :), POINTER        :: block
+         LOGICAL, INTENT(OUT)                     :: tr
          LOGICAL, INTENT(OUT)                     :: found
-        !! whether the block exists in the matrix
          INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
-        !! logical row size of block
-        !! logical column size of block
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_2d_block_p_s'
-
-         REAL(kind=real_4), DIMENSION(:), POINTER         :: block_1d
-         INTEGER                                  :: rsize, csize, &
-                                                     blk, nze, offset, &
-                                                     stored_row, &
-                                                     stored_col, iw, nwms
-         INTEGER                                  :: error_handle
-         TYPE(btree_data_sp2d)          :: data_block
-         LOGICAL                                  :: stored_tr
-         REAL(kind=real_4), DIMENSION(1, 1), TARGET, SAVE    :: block0
-!   ---------------------------------------------------------------------------
-         IF (careful_mod) CALL timeset(routineN, error_handle)
-         IF (debug_mod) THEN
-            IF (matrix%data_type /= dbcsr_type_real_4) &
-               DBCSR_ABORT("Data type mismatch for requested block.")
-         END IF
-
-         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
-                                    stored_tr, found, blk, offset)
-         tr = stored_tr
-
-         rsize = dbcsr_blk_row_size(matrix, stored_row)
-         csize = dbcsr_blk_column_size(matrix, stored_col)
-         IF (PRESENT(row_size)) row_size = rsize
-         IF (PRESENT(col_size)) col_size = csize
 
-         NULLIFY (block)
-         IF (found) THEN
-            nze = rsize*csize
-            IF (nze .eq. 0) THEN
-               found = .TRUE.
-               block => block0(1:0, 1:0)
-            ELSE
-               block_1d => pointer_view(dbcsr_get_data_p( &
-                                        matrix%data_area, 0.0_real_4), offset, offset + nze - 1)
-               CALL dbcsr_set_block_pointer(matrix, block, rsize, csize, offset)
-            END IF
-         ELSEIF (ASSOCIATED(matrix%wms)) THEN
-            nwms = SIZE(matrix%wms)
-            iw = 1
-!$          IF (nwms < omp_get_num_threads()) &
-!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$          iw = omp_get_thread_num() + 1
-            IF (.NOT. dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
-            IF (dbcsr_use_mutable(matrix)) THEN
-               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
-                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
-                                         dbcsr_get_data_type(matrix))
-               END IF
-               CALL btree_find( &
-                  matrix%wms(iw)%mutable%m%btree_s, &
-                  make_coordinate_tuple(stored_row, stored_col), &
-                  data_block, found)
-               IF (found) THEN
-                  block => data_block%p
-               END IF
-            END IF
-         END IF
-         IF (careful_mod) CALL timestop(error_handle)
+         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
       END SUBROUTINE dbcsr_get_2d_block_p_s
 
    
 
diff --git a/develop/proc/dbcsr_get_2d_block_p_s~2.html b/develop/proc/dbcsr_get_2d_block_p_s~2.html
index 25d94af0b40..560f14765f5 100644
--- a/develop/proc/dbcsr_get_2d_block_p_s~2.html
+++ b/develop/proc/dbcsr_get_2d_block_p_s~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_get_2d_block_p_s
 
             
  • 
               9 statements
+                 title=" 0.1% of total for procedures.">50 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,6 +143,7 @@

    private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, foun

    +

    Gets a 2-d block from a dbcsr matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,12 +231,12 @@

    Arguments

    @@ -243,12 +246,12 @@

    Arguments

    @@ -258,12 +261,13 @@

    Arguments

    @@ -273,7 +277,8 @@

    Arguments

    @@ -293,15 +298,86 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_2d_block_p_s (matrix, row, col, block, tr, found, row_size, col_size)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_get_2d_block_p_s (matrix, row, col, block, tr, found, &
+                                                     row_size, col_size)
+     !! Gets a 2-d block from a dbcsr matrix
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         REAL(kind=real_4), DIMENSION(:, :), POINTER        :: block
-         LOGICAL, INTENT(OUT)                     :: tr
+        !! the row
+        !! the column
+         REAL(kind=real_4), DIMENSION(:, :), POINTER         :: block
+        !! the block to get (rank-2 array)
+         LOGICAL, INTENT(OUT)                     :: tr
+        !! whether the data is transposed
          LOGICAL, INTENT(OUT)                     :: found
+        !! whether the block exists in the matrix
          INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
+        !! logical row size of block
+        !! logical column size of block
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_2d_block_p_s'
+
+         REAL(kind=real_4), DIMENSION(:), POINTER         :: block_1d
+         INTEGER                                  :: rsize, csize, &
+                                                     blk, nze, offset, &
+                                                     stored_row, &
+                                                     stored_col, iw, nwms
+         INTEGER                                  :: error_handle
+         TYPE(btree_data_sp2d)          :: data_block
+         LOGICAL                                  :: stored_tr
+         REAL(kind=real_4), DIMENSION(1, 1), TARGET, SAVE    :: block0
+!   ---------------------------------------------------------------------------
+         IF (careful_mod) CALL timeset(routineN, error_handle)
+         IF (debug_mod) THEN
+            IF (matrix%data_type /= dbcsr_type_real_4) &
+               DBCSR_ABORT("Data type mismatch for requested block.")
+         END IF
+
+         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
+                                    stored_tr, found, blk, offset)
+         tr = stored_tr
+
+         rsize = dbcsr_blk_row_size(matrix, stored_row)
+         csize = dbcsr_blk_column_size(matrix, stored_col)
+         IF (PRESENT(row_size)) row_size = rsize
+         IF (PRESENT(col_size)) col_size = csize
 
-         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
+         NULLIFY (block)
+         IF (found) THEN
+            nze = rsize*csize
+            IF (nze .eq. 0) THEN
+               found = .TRUE.
+               block => block0(1:0, 1:0)
+            ELSE
+               block_1d => pointer_view(dbcsr_get_data_p( &
+                                        matrix%data_area, 0.0_real_4), offset, offset + nze - 1)
+               CALL dbcsr_set_block_pointer(matrix, block, rsize, csize, offset)
+            END IF
+         ELSEIF (ASSOCIATED(matrix%wms)) THEN
+            nwms = SIZE(matrix%wms)
+            iw = 1
+!$          IF (nwms < omp_get_num_threads()) &
+!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$          iw = omp_get_thread_num() + 1
+            IF (.NOT. dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
+            IF (dbcsr_use_mutable(matrix)) THEN
+               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
+                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
+                                         dbcsr_get_data_type(matrix))
+               END IF
+               CALL btree_find( &
+                  matrix%wms(iw)%mutable%m%btree_s, &
+                  make_coordinate_tuple(stored_row, stored_col), &
+                  data_block, found)
+               IF (found) THEN
+                  block => data_block%p
+               END IF
+            END IF
+         END IF
+         IF (careful_mod) CALL timestop(error_handle)
       END SUBROUTINE dbcsr_get_2d_block_p_s
 
    
 
diff --git a/develop/proc/dbcsr_get_2d_block_p_z.html b/develop/proc/dbcsr_get_2d_block_p_z.html
index 364ef97914e..0e5bb4a462c 100644
--- a/develop/proc/dbcsr_get_2d_block_p_z.html
+++ b/develop/proc/dbcsr_get_2d_block_p_z.html
@@ -74,20 +74,20 @@ 
    dbcsr_get_2d_block_p_z
 
             
  • 
               50 statements
+                 title=" 0.0% of total for procedures.">9 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,7 +143,6 @@

    private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, foun

    -

    Gets a 2-d block from a dbcsr matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,12 +243,12 @@

    Arguments

    @@ -261,13 +258,12 @@

    Arguments

    @@ -277,8 +273,7 @@

    Arguments

    @@ -298,86 +293,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_2d_block_p_z (matrix, row, col, block, tr, found, &
-                                                     row_size, col_size)
-     !! Gets a 2-d block from a dbcsr matrix
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_get_2d_block_p_z (matrix, row, col, block, tr, found, row_size, col_size)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER         :: block
-        !! the block to get (rank-2 array)
-         LOGICAL, INTENT(OUT)                     :: tr
-        !! whether the data is transposed
+         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER        :: block
+         LOGICAL, INTENT(OUT)                     :: tr
          LOGICAL, INTENT(OUT)                     :: found
-        !! whether the block exists in the matrix
          INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
-        !! logical row size of block
-        !! logical column size of block
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_2d_block_p_z'
-
-         COMPLEX(kind=real_8), DIMENSION(:), POINTER         :: block_1d
-         INTEGER                                  :: rsize, csize, &
-                                                     blk, nze, offset, &
-                                                     stored_row, &
-                                                     stored_col, iw, nwms
-         INTEGER                                  :: error_handle
-         TYPE(btree_data_zp2d)          :: data_block
-         LOGICAL                                  :: stored_tr
-         COMPLEX(kind=real_8), DIMENSION(1, 1), TARGET, SAVE    :: block0
-!   ---------------------------------------------------------------------------
-         IF (careful_mod) CALL timeset(routineN, error_handle)
-         IF (debug_mod) THEN
-            IF (matrix%data_type /= dbcsr_type_complex_8) &
-               DBCSR_ABORT("Data type mismatch for requested block.")
-         END IF
-
-         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
-                                    stored_tr, found, blk, offset)
-         tr = stored_tr
-
-         rsize = dbcsr_blk_row_size(matrix, stored_row)
-         csize = dbcsr_blk_column_size(matrix, stored_col)
-         IF (PRESENT(row_size)) row_size = rsize
-         IF (PRESENT(col_size)) col_size = csize
 
-         NULLIFY (block)
-         IF (found) THEN
-            nze = rsize*csize
-            IF (nze .eq. 0) THEN
-               found = .TRUE.
-               block => block0(1:0, 1:0)
-            ELSE
-               block_1d => pointer_view(dbcsr_get_data_p( &
-                                        matrix%data_area, CMPLX(0.0, 0.0, real_8)), offset, offset + nze - 1)
-               CALL dbcsr_set_block_pointer(matrix, block, rsize, csize, offset)
-            END IF
-         ELSEIF (ASSOCIATED(matrix%wms)) THEN
-            nwms = SIZE(matrix%wms)
-            iw = 1
-!$          IF (nwms < omp_get_num_threads()) &
-!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$          iw = omp_get_thread_num() + 1
-            IF (.NOT. dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
-            IF (dbcsr_use_mutable(matrix)) THEN
-               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
-                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
-                                         dbcsr_get_data_type(matrix))
-               END IF
-               CALL btree_find( &
-                  matrix%wms(iw)%mutable%m%btree_z, &
-                  make_coordinate_tuple(stored_row, stored_col), &
-                  data_block, found)
-               IF (found) THEN
-                  block => data_block%p
-               END IF
-            END IF
-         END IF
-         IF (careful_mod) CALL timestop(error_handle)
+         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
       END SUBROUTINE dbcsr_get_2d_block_p_z
 
    
 
diff --git a/develop/proc/dbcsr_get_2d_block_p_z~2.html b/develop/proc/dbcsr_get_2d_block_p_z~2.html
index 72956469fce..6662043fa7d 100644
--- a/develop/proc/dbcsr_get_2d_block_p_z~2.html
+++ b/develop/proc/dbcsr_get_2d_block_p_z~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_get_2d_block_p_z
 
             
  • 
               9 statements
+                 title=" 0.1% of total for procedures.">50 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,6 +143,7 @@

    private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, foun

    +

    Gets a 2-d block from a dbcsr matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,12 +231,12 @@

    Arguments

    @@ -243,12 +246,12 @@

    Arguments

    @@ -258,12 +261,13 @@

    Arguments

    @@ -273,7 +277,8 @@

    Arguments

    @@ -293,15 +298,86 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_2d_block_p_z (matrix, row, col, block, tr, found, row_size, col_size)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_get_2d_block_p_z (matrix, row, col, block, tr, found, &
+                                                     row_size, col_size)
+     !! Gets a 2-d block from a dbcsr matrix
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER        :: block
-         LOGICAL, INTENT(OUT)                     :: tr
+        !! the row
+        !! the column
+         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER         :: block
+        !! the block to get (rank-2 array)
+         LOGICAL, INTENT(OUT)                     :: tr
+        !! whether the data is transposed
          LOGICAL, INTENT(OUT)                     :: found
+        !! whether the block exists in the matrix
          INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
+        !! logical row size of block
+        !! logical column size of block
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_2d_block_p_z'
+
+         COMPLEX(kind=real_8), DIMENSION(:), POINTER         :: block_1d
+         INTEGER                                  :: rsize, csize, &
+                                                     blk, nze, offset, &
+                                                     stored_row, &
+                                                     stored_col, iw, nwms
+         INTEGER                                  :: error_handle
+         TYPE(btree_data_zp2d)          :: data_block
+         LOGICAL                                  :: stored_tr
+         COMPLEX(kind=real_8), DIMENSION(1, 1), TARGET, SAVE    :: block0
+!   ---------------------------------------------------------------------------
+         IF (careful_mod) CALL timeset(routineN, error_handle)
+         IF (debug_mod) THEN
+            IF (matrix%data_type /= dbcsr_type_complex_8) &
+               DBCSR_ABORT("Data type mismatch for requested block.")
+         END IF
+
+         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
+                                    stored_tr, found, blk, offset)
+         tr = stored_tr
+
+         rsize = dbcsr_blk_row_size(matrix, stored_row)
+         csize = dbcsr_blk_column_size(matrix, stored_col)
+         IF (PRESENT(row_size)) row_size = rsize
+         IF (PRESENT(col_size)) col_size = csize
 
-         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
+         NULLIFY (block)
+         IF (found) THEN
+            nze = rsize*csize
+            IF (nze .eq. 0) THEN
+               found = .TRUE.
+               block => block0(1:0, 1:0)
+            ELSE
+               block_1d => pointer_view(dbcsr_get_data_p( &
+                                        matrix%data_area, CMPLX(0.0, 0.0, real_8)), offset, offset + nze - 1)
+               CALL dbcsr_set_block_pointer(matrix, block, rsize, csize, offset)
+            END IF
+         ELSEIF (ASSOCIATED(matrix%wms)) THEN
+            nwms = SIZE(matrix%wms)
+            iw = 1
+!$          IF (nwms < omp_get_num_threads()) &
+!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$          iw = omp_get_thread_num() + 1
+            IF (.NOT. dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
+            IF (dbcsr_use_mutable(matrix)) THEN
+               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
+                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
+                                         dbcsr_get_data_type(matrix))
+               END IF
+               CALL btree_find( &
+                  matrix%wms(iw)%mutable%m%btree_z, &
+                  make_coordinate_tuple(stored_row, stored_col), &
+                  data_block, found)
+               IF (found) THEN
+                  block => data_block%p
+               END IF
+            END IF
+         END IF
+         IF (careful_mod) CALL timestop(error_handle)
       END SUBROUTINE dbcsr_get_2d_block_p_z
 
    
 
diff --git a/develop/proc/dbcsr_get_block_diag.html b/develop/proc/dbcsr_get_block_diag.html
index 8b0644f98bd..c51f678b6ec 100644
--- a/develop/proc/dbcsr_get_block_diag.html
+++ b/develop/proc/dbcsr_get_block_diag.html
@@ -74,20 +74,20 @@ 
    dbcsr_get_block_diag
 
             
  • 
               23 statements
+                 title=" 0.0% of total for procedures.">5 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,7 +143,6 @@

    public subroutine dbcsr_get_block_diag(matrix, diag)

    -

    get the diagonal of a dbcsr matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -205,38 +204,10 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_get_block_diag(matrix, diag)
-      !! get the diagonal of a dbcsr matrix
-
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         !! the matrix
       TYPE(dbcsr_type), INTENT(INOUT)                    :: diag
-         !! the diagonal
-
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_block_diag'
-
-      INTEGER                                            :: blk, col, handle, row
-      LOGICAL                                            :: tr
-      TYPE(dbcsr_data_obj)                               :: data_a
-      TYPE(dbcsr_iterator)                               :: iter
-
-!   ---------------------------------------------------------------------------
-
-      CALL timeset(routineN, handle)
-      CALL dbcsr_create(diag, name='diag of '//TRIM(matrix%name), &
-                        template=matrix)
 
-      CALL dbcsr_data_init(data_a)
-      CALL dbcsr_data_new(data_a, dbcsr_get_data_type(matrix))
-      CALL dbcsr_iterator_start(iter, matrix)
-      DO WHILE (dbcsr_iterator_blocks_left(iter))
-         CALL dbcsr_iterator_next_block(iter, row, col, data_a, tr, blk)
-         IF (row .EQ. col) CALL dbcsr_put_block(diag, row, col, data_a, transposed=tr)
-      END DO
-      CALL dbcsr_iterator_stop(iter)
-      CALL dbcsr_data_clear_pointer(data_a)
-      CALL dbcsr_data_release(data_a)
-      CALL dbcsr_finalize(diag)
-      CALL timestop(handle)
+      CALL dbcsr_get_block_diag_prv(matrix%prv, diag%prv)
    END SUBROUTINE dbcsr_get_block_diag
    diff --git a/develop/proc/dbcsr_get_block_diag~2.html b/develop/proc/dbcsr_get_block_diag~2.html index 635a88bb116..32f41d2e81e 100644 --- a/develop/proc/dbcsr_get_block_diag~2.html +++ b/develop/proc/dbcsr_get_block_diag~2.html @@ -74,20 +74,20 @@

    dbcsr_get_block_diag
  • 5 statements + title=" 0.0% of total for procedures.">23 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public subroutine dbcsr_get_block_diag(matrix, diag)

    +

    get the diagonal of a dbcsr matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -204,10 +205,38 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_get_block_diag(matrix, diag)
+      !! get the diagonal of a dbcsr matrix
+
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         !! the matrix
       TYPE(dbcsr_type), INTENT(INOUT)                    :: diag
+         !! the diagonal
+
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_block_diag'
+
+      INTEGER                                            :: blk, col, handle, row
+      LOGICAL                                            :: tr
+      TYPE(dbcsr_data_obj)                               :: data_a
+      TYPE(dbcsr_iterator)                               :: iter
+
+!   ---------------------------------------------------------------------------
+
+      CALL timeset(routineN, handle)
+      CALL dbcsr_create(diag, name='diag of '//TRIM(matrix%name), &
+                        template=matrix)
 
-      CALL dbcsr_get_block_diag_prv(matrix%prv, diag%prv)
+      CALL dbcsr_data_init(data_a)
+      CALL dbcsr_data_new(data_a, dbcsr_get_data_type(matrix))
+      CALL dbcsr_iterator_start(iter, matrix)
+      DO WHILE (dbcsr_iterator_blocks_left(iter))
+         CALL dbcsr_iterator_next_block(iter, row, col, data_a, tr, blk)
+         IF (row .EQ. col) CALL dbcsr_put_block(diag, row, col, data_a, transposed=tr)
+      END DO
+      CALL dbcsr_iterator_stop(iter)
+      CALL dbcsr_data_clear_pointer(data_a)
+      CALL dbcsr_data_release(data_a)
+      CALL dbcsr_finalize(diag)
+      CALL timestop(handle)
    END SUBROUTINE dbcsr_get_block_diag
    diff --git a/develop/proc/dbcsr_get_block_index.html b/develop/proc/dbcsr_get_block_index.html index daf5ab88ab2..c9a525633fc 100644 --- a/develop/proc/dbcsr_get_block_index.html +++ b/develop/proc/dbcsr_get_block_index.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    @@ -206,7 +206,7 @@

    Arguments

    @@ -238,7 +238,7 @@

    Arguments

    @@ -254,7 +254,7 @@

    Arguments

    @@ -270,7 +270,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_block_notrans_p_c.html b/develop/proc/dbcsr_get_block_notrans_p_c.html index fd9e1d372f4..16f101c5574 100644 --- a/develop/proc/dbcsr_get_block_notrans_p_c.html +++ b/develop/proc/dbcsr_get_block_notrans_p_c.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -233,7 +233,7 @@

    Arguments

    @@ -248,7 +248,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_block_notrans_p_d.html b/develop/proc/dbcsr_get_block_notrans_p_d.html index b6853f998e2..eb89153f18e 100644 --- a/develop/proc/dbcsr_get_block_notrans_p_d.html +++ b/develop/proc/dbcsr_get_block_notrans_p_d.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

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    @@ -218,7 +218,7 @@

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    @@ -233,7 +233,7 @@

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    @@ -248,7 +248,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_block_notrans_p_s.html b/develop/proc/dbcsr_get_block_notrans_p_s.html index 937fa873918..9d5e3547f1e 100644 --- a/develop/proc/dbcsr_get_block_notrans_p_s.html +++ b/develop/proc/dbcsr_get_block_notrans_p_s.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -233,7 +233,7 @@

    Arguments

    @@ -248,7 +248,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_block_notrans_p_z.html b/develop/proc/dbcsr_get_block_notrans_p_z.html index 389b60b2ea2..c9c5ebc7d70 100644 --- a/develop/proc/dbcsr_get_block_notrans_p_z.html +++ b/develop/proc/dbcsr_get_block_notrans_p_z.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -233,7 +233,7 @@

    Arguments

    @@ -248,7 +248,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_block_p_area.html b/develop/proc/dbcsr_get_block_p_area.html index d1fabdaa074..d5401214ffd 100644 --- a/develop/proc/dbcsr_get_block_p_area.html +++ b/develop/proc/dbcsr_get_block_p_area.html @@ -162,7 +162,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    @@ -193,7 +193,7 @@

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    Arguments

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    @@ -256,7 +256,7 @@

    Arguments

    @@ -272,7 +272,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_block_p_c.html b/develop/proc/dbcsr_get_block_p_c.html index 790f2d1e28c..f797f73c8a2 100644 --- a/develop/proc/dbcsr_get_block_p_c.html +++ b/develop/proc/dbcsr_get_block_p_c.html @@ -74,20 +74,20 @@

    dbcsr_get_block_p_c
  • 27 statements + title=" 0.0% of total for procedures.">9 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found,

    -

    Gets a 1-d block from a dbcsr matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,12 +243,12 @@

    Arguments

    @@ -261,13 +258,12 @@

    Arguments

    @@ -277,8 +273,7 @@

    Arguments

    @@ -298,61 +293,16 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_block_p_c (matrix, row, col, block, tr, found, &
-                                                  row_size, col_size)
-     !! Gets a 1-d block from a dbcsr matrix
-
+    
          SUBROUTINE dbcsr_get_block_p_c (matrix, row, col, block, tr, found, row_size, col_size)
          TYPE(dbcsr_type), INTENT(IN)              :: matrix
-        !! DBCSR matrix
-         INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         COMPLEX(kind=real_4), DIMENSION(:), POINTER           :: block
-        !! the block to get (rank-1 array)
-         LOGICAL, INTENT(OUT)                     :: tr
-        !! whether the data is transposed
-         LOGICAL, INTENT(OUT)                     :: found
-        !! whether the block exists in the matrix
-         INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
-        !! logical row size of block
-        !! logical column size of block
-
-         INTEGER                                  :: blk, csize, &
-                                                     nze, offset, &
-                                                     rsize, stored_row, &
-                                                     stored_col
-         LOGICAL                                  :: stored_tr
-
-!   ---------------------------------------------------------------------------
-
-         IF (debug_mod) THEN
-            IF (matrix%data_type /= dbcsr_type_complex_4) &
-               DBCSR_ABORT("Data type mismatch for requested block.")
-         END IF
-
-         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
-                                    stored_tr, found, blk, offset)
-         tr = stored_tr
-
-         rsize = dbcsr_blk_row_size(matrix, stored_row)
-         csize = dbcsr_blk_column_size(matrix, stored_col)
-         IF (PRESENT(row_size)) row_size = rsize
-         IF (PRESENT(col_size)) col_size = csize
-
-         NULLIFY (block)
-         IF (found) THEN
-            nze = rsize*csize
-            !
-            block => pointer_view( &
-                     dbcsr_get_data_p(matrix%data_area, CMPLX(0.0, 0.0, real_4)), offset, offset + nze - 1 &
-                     )
-         ELSEIF (ASSOCIATED(matrix%wms)) THEN
-            IF (.NOT. dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
-            IF (dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve rank-1 block pointers from mutable work matrices.")
-         END IF
-      END SUBROUTINE dbcsr_get_block_p_c
+         INTEGER, INTENT(IN)                       :: row, col
+         COMPLEX(kind=real_4), DIMENSION(:), POINTER            :: block
+         LOGICAL, INTENT(OUT)                      :: tr
+         LOGICAL, INTENT(OUT)                      :: found
+         INTEGER, INTENT(OUT), OPTIONAL            :: row_size, col_size
+
+         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
+      END SUBROUTINE dbcsr_get_block_p_c
    diff --git a/develop/proc/dbcsr_get_block_p_c~2.html b/develop/proc/dbcsr_get_block_p_c~2.html index ffc4695a3fa..9a678a80fd0 100644 --- a/develop/proc/dbcsr_get_block_p_c~2.html +++ b/develop/proc/dbcsr_get_block_p_c~2.html @@ -74,20 +74,20 @@

    dbcsr_get_block_p_c
  • 9 statements + title=" 0.0% of total for procedures.">27 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found,

    +

    Gets a 1-d block from a dbcsr matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,12 +231,12 @@

    Arguments

    @@ -243,12 +246,12 @@

    Arguments

    @@ -258,12 +261,13 @@

    Arguments

    @@ -273,7 +277,8 @@

    Arguments

    @@ -293,16 +298,61 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_block_p_c (matrix, row, col, block, tr, found, row_size, col_size)
+    
          SUBROUTINE dbcsr_get_block_p_c (matrix, row, col, block, tr, found, &
+                                                  row_size, col_size)
+     !! Gets a 1-d block from a dbcsr matrix
+
          TYPE(dbcsr_type), INTENT(IN)              :: matrix
-         INTEGER, INTENT(IN)                       :: row, col
-         COMPLEX(kind=real_4), DIMENSION(:), POINTER            :: block
-         LOGICAL, INTENT(OUT)                      :: tr
-         LOGICAL, INTENT(OUT)                      :: found
-         INTEGER, INTENT(OUT), OPTIONAL            :: row_size, col_size
-
-         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
-      END SUBROUTINE dbcsr_get_block_p_c
+        !! DBCSR matrix
+         INTEGER, INTENT(IN)                      :: row, col
+        !! the row
+        !! the column
+         COMPLEX(kind=real_4), DIMENSION(:), POINTER           :: block
+        !! the block to get (rank-1 array)
+         LOGICAL, INTENT(OUT)                     :: tr
+        !! whether the data is transposed
+         LOGICAL, INTENT(OUT)                     :: found
+        !! whether the block exists in the matrix
+         INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
+        !! logical row size of block
+        !! logical column size of block
+
+         INTEGER                                  :: blk, csize, &
+                                                     nze, offset, &
+                                                     rsize, stored_row, &
+                                                     stored_col
+         LOGICAL                                  :: stored_tr
+
+!   ---------------------------------------------------------------------------
+
+         IF (debug_mod) THEN
+            IF (matrix%data_type /= dbcsr_type_complex_4) &
+               DBCSR_ABORT("Data type mismatch for requested block.")
+         END IF
+
+         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
+                                    stored_tr, found, blk, offset)
+         tr = stored_tr
+
+         rsize = dbcsr_blk_row_size(matrix, stored_row)
+         csize = dbcsr_blk_column_size(matrix, stored_col)
+         IF (PRESENT(row_size)) row_size = rsize
+         IF (PRESENT(col_size)) col_size = csize
+
+         NULLIFY (block)
+         IF (found) THEN
+            nze = rsize*csize
+            !
+            block => pointer_view( &
+                     dbcsr_get_data_p(matrix%data_area, CMPLX(0.0, 0.0, real_4)), offset, offset + nze - 1 &
+                     )
+         ELSEIF (ASSOCIATED(matrix%wms)) THEN
+            IF (.NOT. dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
+            IF (dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve rank-1 block pointers from mutable work matrices.")
+         END IF
+      END SUBROUTINE dbcsr_get_block_p_c
    diff --git a/develop/proc/dbcsr_get_block_p_d.html b/develop/proc/dbcsr_get_block_p_d.html index dcde5bf1819..f331bfbec10 100644 --- a/develop/proc/dbcsr_get_block_p_d.html +++ b/develop/proc/dbcsr_get_block_p_d.html @@ -74,20 +74,20 @@

    dbcsr_get_block_p_d
  • 27 statements + title=" 0.0% of total for procedures.">9 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found,

    -

    Gets a 1-d block from a dbcsr matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,12 +243,12 @@

    Arguments

    @@ -261,13 +258,12 @@

    Arguments

    @@ -277,8 +273,7 @@

    Arguments

    @@ -298,61 +293,16 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_block_p_d (matrix, row, col, block, tr, found, &
-                                                  row_size, col_size)
-     !! Gets a 1-d block from a dbcsr matrix
-
+    
          SUBROUTINE dbcsr_get_block_p_d (matrix, row, col, block, tr, found, row_size, col_size)
          TYPE(dbcsr_type), INTENT(IN)              :: matrix
-        !! DBCSR matrix
-         INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         REAL(kind=real_8), DIMENSION(:), POINTER           :: block
-        !! the block to get (rank-1 array)
-         LOGICAL, INTENT(OUT)                     :: tr
-        !! whether the data is transposed
-         LOGICAL, INTENT(OUT)                     :: found
-        !! whether the block exists in the matrix
-         INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
-        !! logical row size of block
-        !! logical column size of block
-
-         INTEGER                                  :: blk, csize, &
-                                                     nze, offset, &
-                                                     rsize, stored_row, &
-                                                     stored_col
-         LOGICAL                                  :: stored_tr
-
-!   ---------------------------------------------------------------------------
-
-         IF (debug_mod) THEN
-            IF (matrix%data_type /= dbcsr_type_real_8) &
-               DBCSR_ABORT("Data type mismatch for requested block.")
-         END IF
-
-         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
-                                    stored_tr, found, blk, offset)
-         tr = stored_tr
-
-         rsize = dbcsr_blk_row_size(matrix, stored_row)
-         csize = dbcsr_blk_column_size(matrix, stored_col)
-         IF (PRESENT(row_size)) row_size = rsize
-         IF (PRESENT(col_size)) col_size = csize
-
-         NULLIFY (block)
-         IF (found) THEN
-            nze = rsize*csize
-            !
-            block => pointer_view( &
-                     dbcsr_get_data_p(matrix%data_area, 0.0_real_8), offset, offset + nze - 1 &
-                     )
-         ELSEIF (ASSOCIATED(matrix%wms)) THEN
-            IF (.NOT. dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
-            IF (dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve rank-1 block pointers from mutable work matrices.")
-         END IF
-      END SUBROUTINE dbcsr_get_block_p_d
+         INTEGER, INTENT(IN)                       :: row, col
+         REAL(kind=real_8), DIMENSION(:), POINTER            :: block
+         LOGICAL, INTENT(OUT)                      :: tr
+         LOGICAL, INTENT(OUT)                      :: found
+         INTEGER, INTENT(OUT), OPTIONAL            :: row_size, col_size
+
+         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
+      END SUBROUTINE dbcsr_get_block_p_d
    diff --git a/develop/proc/dbcsr_get_block_p_d~2.html b/develop/proc/dbcsr_get_block_p_d~2.html index 68aa1a04af5..3f01026a082 100644 --- a/develop/proc/dbcsr_get_block_p_d~2.html +++ b/develop/proc/dbcsr_get_block_p_d~2.html @@ -74,20 +74,20 @@

    dbcsr_get_block_p_d
  • 9 statements + title=" 0.0% of total for procedures.">27 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found,

    +

    Gets a 1-d block from a dbcsr matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,12 +231,12 @@

    Arguments

    @@ -243,12 +246,12 @@

    Arguments

    @@ -258,12 +261,13 @@

    Arguments

    @@ -273,7 +277,8 @@

    Arguments

    @@ -293,16 +298,61 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_block_p_d (matrix, row, col, block, tr, found, row_size, col_size)
+    
          SUBROUTINE dbcsr_get_block_p_d (matrix, row, col, block, tr, found, &
+                                                  row_size, col_size)
+     !! Gets a 1-d block from a dbcsr matrix
+
          TYPE(dbcsr_type), INTENT(IN)              :: matrix
-         INTEGER, INTENT(IN)                       :: row, col
-         REAL(kind=real_8), DIMENSION(:), POINTER            :: block
-         LOGICAL, INTENT(OUT)                      :: tr
-         LOGICAL, INTENT(OUT)                      :: found
-         INTEGER, INTENT(OUT), OPTIONAL            :: row_size, col_size
-
-         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
-      END SUBROUTINE dbcsr_get_block_p_d
+        !! DBCSR matrix
+         INTEGER, INTENT(IN)                      :: row, col
+        !! the row
+        !! the column
+         REAL(kind=real_8), DIMENSION(:), POINTER           :: block
+        !! the block to get (rank-1 array)
+         LOGICAL, INTENT(OUT)                     :: tr
+        !! whether the data is transposed
+         LOGICAL, INTENT(OUT)                     :: found
+        !! whether the block exists in the matrix
+         INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
+        !! logical row size of block
+        !! logical column size of block
+
+         INTEGER                                  :: blk, csize, &
+                                                     nze, offset, &
+                                                     rsize, stored_row, &
+                                                     stored_col
+         LOGICAL                                  :: stored_tr
+
+!   ---------------------------------------------------------------------------
+
+         IF (debug_mod) THEN
+            IF (matrix%data_type /= dbcsr_type_real_8) &
+               DBCSR_ABORT("Data type mismatch for requested block.")
+         END IF
+
+         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
+                                    stored_tr, found, blk, offset)
+         tr = stored_tr
+
+         rsize = dbcsr_blk_row_size(matrix, stored_row)
+         csize = dbcsr_blk_column_size(matrix, stored_col)
+         IF (PRESENT(row_size)) row_size = rsize
+         IF (PRESENT(col_size)) col_size = csize
+
+         NULLIFY (block)
+         IF (found) THEN
+            nze = rsize*csize
+            !
+            block => pointer_view( &
+                     dbcsr_get_data_p(matrix%data_area, 0.0_real_8), offset, offset + nze - 1 &
+                     )
+         ELSEIF (ASSOCIATED(matrix%wms)) THEN
+            IF (.NOT. dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
+            IF (dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve rank-1 block pointers from mutable work matrices.")
+         END IF
+      END SUBROUTINE dbcsr_get_block_p_d
    diff --git a/develop/proc/dbcsr_get_block_p_s.html b/develop/proc/dbcsr_get_block_p_s.html index 4f24e9e0d6a..4712818ba0e 100644 --- a/develop/proc/dbcsr_get_block_p_s.html +++ b/develop/proc/dbcsr_get_block_p_s.html @@ -74,20 +74,20 @@

    dbcsr_get_block_p_s
  • 27 statements + title=" 0.0% of total for procedures.">9 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found,

    -

    Gets a 1-d block from a dbcsr matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,12 +243,12 @@

    Arguments

    @@ -261,13 +258,12 @@

    Arguments

    @@ -277,8 +273,7 @@

    Arguments

    @@ -298,61 +293,16 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_block_p_s (matrix, row, col, block, tr, found, &
-                                                  row_size, col_size)
-     !! Gets a 1-d block from a dbcsr matrix
-
+    
          SUBROUTINE dbcsr_get_block_p_s (matrix, row, col, block, tr, found, row_size, col_size)
          TYPE(dbcsr_type), INTENT(IN)              :: matrix
-        !! DBCSR matrix
-         INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         REAL(kind=real_4), DIMENSION(:), POINTER           :: block
-        !! the block to get (rank-1 array)
-         LOGICAL, INTENT(OUT)                     :: tr
-        !! whether the data is transposed
-         LOGICAL, INTENT(OUT)                     :: found
-        !! whether the block exists in the matrix
-         INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
-        !! logical row size of block
-        !! logical column size of block
-
-         INTEGER                                  :: blk, csize, &
-                                                     nze, offset, &
-                                                     rsize, stored_row, &
-                                                     stored_col
-         LOGICAL                                  :: stored_tr
-
-!   ---------------------------------------------------------------------------
-
-         IF (debug_mod) THEN
-            IF (matrix%data_type /= dbcsr_type_real_4) &
-               DBCSR_ABORT("Data type mismatch for requested block.")
-         END IF
-
-         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
-                                    stored_tr, found, blk, offset)
-         tr = stored_tr
-
-         rsize = dbcsr_blk_row_size(matrix, stored_row)
-         csize = dbcsr_blk_column_size(matrix, stored_col)
-         IF (PRESENT(row_size)) row_size = rsize
-         IF (PRESENT(col_size)) col_size = csize
-
-         NULLIFY (block)
-         IF (found) THEN
-            nze = rsize*csize
-            !
-            block => pointer_view( &
-                     dbcsr_get_data_p(matrix%data_area, 0.0_real_4), offset, offset + nze - 1 &
-                     )
-         ELSEIF (ASSOCIATED(matrix%wms)) THEN
-            IF (.NOT. dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
-            IF (dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve rank-1 block pointers from mutable work matrices.")
-         END IF
-      END SUBROUTINE dbcsr_get_block_p_s
+         INTEGER, INTENT(IN)                       :: row, col
+         REAL(kind=real_4), DIMENSION(:), POINTER            :: block
+         LOGICAL, INTENT(OUT)                      :: tr
+         LOGICAL, INTENT(OUT)                      :: found
+         INTEGER, INTENT(OUT), OPTIONAL            :: row_size, col_size
+
+         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
+      END SUBROUTINE dbcsr_get_block_p_s
    diff --git a/develop/proc/dbcsr_get_block_p_s~2.html b/develop/proc/dbcsr_get_block_p_s~2.html index 21c527d8658..33561a2cbd4 100644 --- a/develop/proc/dbcsr_get_block_p_s~2.html +++ b/develop/proc/dbcsr_get_block_p_s~2.html @@ -74,20 +74,20 @@

    dbcsr_get_block_p_s
  • 9 statements + title=" 0.0% of total for procedures.">27 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found,

    +

    Gets a 1-d block from a dbcsr matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,12 +231,12 @@

    Arguments

    @@ -243,12 +246,12 @@

    Arguments

    @@ -258,12 +261,13 @@

    Arguments

    @@ -273,7 +277,8 @@

    Arguments

    @@ -293,16 +298,61 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_block_p_s (matrix, row, col, block, tr, found, row_size, col_size)
+    
          SUBROUTINE dbcsr_get_block_p_s (matrix, row, col, block, tr, found, &
+                                                  row_size, col_size)
+     !! Gets a 1-d block from a dbcsr matrix
+
          TYPE(dbcsr_type), INTENT(IN)              :: matrix
-         INTEGER, INTENT(IN)                       :: row, col
-         REAL(kind=real_4), DIMENSION(:), POINTER            :: block
-         LOGICAL, INTENT(OUT)                      :: tr
-         LOGICAL, INTENT(OUT)                      :: found
-         INTEGER, INTENT(OUT), OPTIONAL            :: row_size, col_size
-
-         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
-      END SUBROUTINE dbcsr_get_block_p_s
+        !! DBCSR matrix
+         INTEGER, INTENT(IN)                      :: row, col
+        !! the row
+        !! the column
+         REAL(kind=real_4), DIMENSION(:), POINTER           :: block
+        !! the block to get (rank-1 array)
+         LOGICAL, INTENT(OUT)                     :: tr
+        !! whether the data is transposed
+         LOGICAL, INTENT(OUT)                     :: found
+        !! whether the block exists in the matrix
+         INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
+        !! logical row size of block
+        !! logical column size of block
+
+         INTEGER                                  :: blk, csize, &
+                                                     nze, offset, &
+                                                     rsize, stored_row, &
+                                                     stored_col
+         LOGICAL                                  :: stored_tr
+
+!   ---------------------------------------------------------------------------
+
+         IF (debug_mod) THEN
+            IF (matrix%data_type /= dbcsr_type_real_4) &
+               DBCSR_ABORT("Data type mismatch for requested block.")
+         END IF
+
+         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
+                                    stored_tr, found, blk, offset)
+         tr = stored_tr
+
+         rsize = dbcsr_blk_row_size(matrix, stored_row)
+         csize = dbcsr_blk_column_size(matrix, stored_col)
+         IF (PRESENT(row_size)) row_size = rsize
+         IF (PRESENT(col_size)) col_size = csize
+
+         NULLIFY (block)
+         IF (found) THEN
+            nze = rsize*csize
+            !
+            block => pointer_view( &
+                     dbcsr_get_data_p(matrix%data_area, 0.0_real_4), offset, offset + nze - 1 &
+                     )
+         ELSEIF (ASSOCIATED(matrix%wms)) THEN
+            IF (.NOT. dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
+            IF (dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve rank-1 block pointers from mutable work matrices.")
+         END IF
+      END SUBROUTINE dbcsr_get_block_p_s
    diff --git a/develop/proc/dbcsr_get_block_p_z.html b/develop/proc/dbcsr_get_block_p_z.html index 839293575dc..ad88101f349 100644 --- a/develop/proc/dbcsr_get_block_p_z.html +++ b/develop/proc/dbcsr_get_block_p_z.html @@ -74,20 +74,20 @@

    dbcsr_get_block_p_z
  • 27 statements + title=" 0.0% of total for procedures.">9 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found,

    -

    Gets a 1-d block from a dbcsr matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,12 +243,12 @@

    Arguments

    @@ -261,13 +258,12 @@

    Arguments

    @@ -277,8 +273,7 @@

    Arguments

    @@ -298,61 +293,16 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_block_p_z (matrix, row, col, block, tr, found, &
-                                                  row_size, col_size)
-     !! Gets a 1-d block from a dbcsr matrix
-
+    
          SUBROUTINE dbcsr_get_block_p_z (matrix, row, col, block, tr, found, row_size, col_size)
          TYPE(dbcsr_type), INTENT(IN)              :: matrix
-        !! DBCSR matrix
-         INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         COMPLEX(kind=real_8), DIMENSION(:), POINTER           :: block
-        !! the block to get (rank-1 array)
-         LOGICAL, INTENT(OUT)                     :: tr
-        !! whether the data is transposed
-         LOGICAL, INTENT(OUT)                     :: found
-        !! whether the block exists in the matrix
-         INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
-        !! logical row size of block
-        !! logical column size of block
-
-         INTEGER                                  :: blk, csize, &
-                                                     nze, offset, &
-                                                     rsize, stored_row, &
-                                                     stored_col
-         LOGICAL                                  :: stored_tr
-
-!   ---------------------------------------------------------------------------
-
-         IF (debug_mod) THEN
-            IF (matrix%data_type /= dbcsr_type_complex_8) &
-               DBCSR_ABORT("Data type mismatch for requested block.")
-         END IF
-
-         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
-                                    stored_tr, found, blk, offset)
-         tr = stored_tr
-
-         rsize = dbcsr_blk_row_size(matrix, stored_row)
-         csize = dbcsr_blk_column_size(matrix, stored_col)
-         IF (PRESENT(row_size)) row_size = rsize
-         IF (PRESENT(col_size)) col_size = csize
-
-         NULLIFY (block)
-         IF (found) THEN
-            nze = rsize*csize
-            !
-            block => pointer_view( &
-                     dbcsr_get_data_p(matrix%data_area, CMPLX(0.0, 0.0, real_8)), offset, offset + nze - 1 &
-                     )
-         ELSEIF (ASSOCIATED(matrix%wms)) THEN
-            IF (.NOT. dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
-            IF (dbcsr_use_mutable(matrix)) &
-               DBCSR_ABORT("Can not retrieve rank-1 block pointers from mutable work matrices.")
-         END IF
-      END SUBROUTINE dbcsr_get_block_p_z
+         INTEGER, INTENT(IN)                       :: row, col
+         COMPLEX(kind=real_8), DIMENSION(:), POINTER            :: block
+         LOGICAL, INTENT(OUT)                      :: tr
+         LOGICAL, INTENT(OUT)                      :: found
+         INTEGER, INTENT(OUT), OPTIONAL            :: row_size, col_size
+
+         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
+      END SUBROUTINE dbcsr_get_block_p_z
    diff --git a/develop/proc/dbcsr_get_block_p_z~2.html b/develop/proc/dbcsr_get_block_p_z~2.html index 0c63a8b912a..fcc3895d379 100644 --- a/develop/proc/dbcsr_get_block_p_z~2.html +++ b/develop/proc/dbcsr_get_block_p_z~2.html @@ -74,20 +74,20 @@

    dbcsr_get_block_p_z
  • 9 statements + title=" 0.0% of total for procedures.">27 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found,

    +

    Gets a 1-d block from a dbcsr matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,12 +231,12 @@

    Arguments

    @@ -243,12 +246,12 @@

    Arguments

    @@ -258,12 +261,13 @@

    Arguments

    @@ -273,7 +277,8 @@

    Arguments

    @@ -293,16 +298,61 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_get_block_p_z (matrix, row, col, block, tr, found, row_size, col_size)
+    
          SUBROUTINE dbcsr_get_block_p_z (matrix, row, col, block, tr, found, &
+                                                  row_size, col_size)
+     !! Gets a 1-d block from a dbcsr matrix
+
          TYPE(dbcsr_type), INTENT(IN)              :: matrix
-         INTEGER, INTENT(IN)                       :: row, col
-         COMPLEX(kind=real_8), DIMENSION(:), POINTER            :: block
-         LOGICAL, INTENT(OUT)                      :: tr
-         LOGICAL, INTENT(OUT)                      :: found
-         INTEGER, INTENT(OUT), OPTIONAL            :: row_size, col_size
-
-         CALL dbcsr_get_block_p_prv(matrix%prv, row, col, block, tr, found, row_size, col_size)
-      END SUBROUTINE dbcsr_get_block_p_z
+        !! DBCSR matrix
+         INTEGER, INTENT(IN)                      :: row, col
+        !! the row
+        !! the column
+         COMPLEX(kind=real_8), DIMENSION(:), POINTER           :: block
+        !! the block to get (rank-1 array)
+         LOGICAL, INTENT(OUT)                     :: tr
+        !! whether the data is transposed
+         LOGICAL, INTENT(OUT)                     :: found
+        !! whether the block exists in the matrix
+         INTEGER, INTENT(OUT), OPTIONAL           :: row_size, col_size
+        !! logical row size of block
+        !! logical column size of block
+
+         INTEGER                                  :: blk, csize, &
+                                                     nze, offset, &
+                                                     rsize, stored_row, &
+                                                     stored_col
+         LOGICAL                                  :: stored_tr
+
+!   ---------------------------------------------------------------------------
+
+         IF (debug_mod) THEN
+            IF (matrix%data_type /= dbcsr_type_complex_8) &
+               DBCSR_ABORT("Data type mismatch for requested block.")
+         END IF
+
+         CALL dbcsr_get_block_index(matrix, row, col, stored_row, stored_col, &
+                                    stored_tr, found, blk, offset)
+         tr = stored_tr
+
+         rsize = dbcsr_blk_row_size(matrix, stored_row)
+         csize = dbcsr_blk_column_size(matrix, stored_col)
+         IF (PRESENT(row_size)) row_size = rsize
+         IF (PRESENT(col_size)) col_size = csize
+
+         NULLIFY (block)
+         IF (found) THEN
+            nze = rsize*csize
+            !
+            block => pointer_view( &
+                     dbcsr_get_data_p(matrix%data_area, CMPLX(0.0, 0.0, real_8)), offset, offset + nze - 1 &
+                     )
+         ELSEIF (ASSOCIATED(matrix%wms)) THEN
+            IF (.NOT. dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve blocks from non-mutable work matrices.")
+            IF (dbcsr_use_mutable(matrix)) &
+               DBCSR_ABORT("Can not retrieve rank-1 block pointers from mutable work matrices.")
+         END IF
+      END SUBROUTINE dbcsr_get_block_p_z
    diff --git a/develop/proc/dbcsr_get_data_c.html b/develop/proc/dbcsr_get_data_c.html index 895d25f18a6..da061f5438a 100644 --- a/develop/proc/dbcsr_get_data_c.html +++ b/develop/proc/dbcsr_get_data_c.html @@ -158,7 +158,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -221,7 +221,7 @@

    Arguments

    Return Value - + complex(kind=real_4), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_get_data_c_c.html b/develop/proc/dbcsr_get_data_c_c.html index 68d68e5294e..7d4e4e6fe9a 100644 --- a/develop/proc/dbcsr_get_data_c_c.html +++ b/develop/proc/dbcsr_get_data_c_c.html @@ -193,7 +193,7 @@

    Arguments

    @@ -209,7 +209,7 @@

    Arguments

    @@ -228,7 +228,7 @@

    Arguments

    Return Value - + complex(kind=real_4), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_get_data_c_d.html b/develop/proc/dbcsr_get_data_c_d.html index 206b21f5895..aba547b14d8 100644 --- a/develop/proc/dbcsr_get_data_c_d.html +++ b/develop/proc/dbcsr_get_data_c_d.html @@ -193,7 +193,7 @@

    Arguments

    @@ -209,7 +209,7 @@

    Arguments

    @@ -228,7 +228,7 @@

    Arguments

    Return Value - + real(kind=real_8), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_get_data_c_s.html b/develop/proc/dbcsr_get_data_c_s.html index 03e0f788893..c3a464796e1 100644 --- a/develop/proc/dbcsr_get_data_c_s.html +++ b/develop/proc/dbcsr_get_data_c_s.html @@ -193,7 +193,7 @@

    Arguments

    @@ -209,7 +209,7 @@

    Arguments

    @@ -228,7 +228,7 @@

    Arguments

    Return Value - + real(kind=real_4), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_get_data_c_z.html b/develop/proc/dbcsr_get_data_c_z.html index fc081ff2934..fac598cc95b 100644 --- a/develop/proc/dbcsr_get_data_c_z.html +++ b/develop/proc/dbcsr_get_data_c_z.html @@ -193,7 +193,7 @@

    Arguments

    @@ -209,7 +209,7 @@

    Arguments

    @@ -228,7 +228,7 @@

    Arguments

    Return Value - + complex(kind=real_8), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_get_data_d.html b/develop/proc/dbcsr_get_data_d.html index 450e881c7e6..27d85ae9ed4 100644 --- a/develop/proc/dbcsr_get_data_d.html +++ b/develop/proc/dbcsr_get_data_d.html @@ -158,7 +158,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -221,7 +221,7 @@

    Arguments

    Return Value - + real(kind=real_8), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_get_data_memory_type.html b/develop/proc/dbcsr_get_data_memory_type.html index 5677a4ddbba..210d9975fbf 100644 --- a/develop/proc/dbcsr_get_data_memory_type.html +++ b/develop/proc/dbcsr_get_data_memory_type.html @@ -163,7 +163,7 @@

    Arguments

    @@ -181,7 +181,7 @@

    Arguments

    Return Value - + type(dbcsr_memtype_type)

    diff --git a/develop/proc/dbcsr_get_data_p_2d_c.html b/develop/proc/dbcsr_get_data_p_2d_c.html index 2b19515f1f7..959e9bb1ee6 100644 --- a/develop/proc/dbcsr_get_data_p_2d_c.html +++ b/develop/proc/dbcsr_get_data_p_2d_c.html @@ -177,7 +177,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -212,7 +212,7 @@

    Arguments

    Return Value - + complex(kind=real_4), DIMENSION(:, :), POINTER

    diff --git a/develop/proc/dbcsr_get_data_p_2d_d.html b/develop/proc/dbcsr_get_data_p_2d_d.html index 15eb1938201..8dd422d2016 100644 --- a/develop/proc/dbcsr_get_data_p_2d_d.html +++ b/develop/proc/dbcsr_get_data_p_2d_d.html @@ -177,7 +177,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -212,7 +212,7 @@

    Arguments

    Return Value - + real(kind=real_8), DIMENSION(:, :), POINTER

    diff --git a/develop/proc/dbcsr_get_data_p_2d_s.html b/develop/proc/dbcsr_get_data_p_2d_s.html index fc3b33bc6fd..ed948cd37f0 100644 --- a/develop/proc/dbcsr_get_data_p_2d_s.html +++ b/develop/proc/dbcsr_get_data_p_2d_s.html @@ -177,7 +177,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -212,7 +212,7 @@

    Arguments

    Return Value - + real(kind=real_4), DIMENSION(:, :), POINTER

    diff --git a/develop/proc/dbcsr_get_data_p_2d_z.html b/develop/proc/dbcsr_get_data_p_2d_z.html index a2e651acd2e..7550f93b8be 100644 --- a/develop/proc/dbcsr_get_data_p_2d_z.html +++ b/develop/proc/dbcsr_get_data_p_2d_z.html @@ -177,7 +177,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -212,7 +212,7 @@

    Arguments

    Return Value - + complex(kind=real_8), DIMENSION(:, :), POINTER

    diff --git a/develop/proc/dbcsr_get_data_p_c.html b/develop/proc/dbcsr_get_data_p_c.html index 04994f0b883..eccb85230f0 100644 --- a/develop/proc/dbcsr_get_data_p_c.html +++ b/develop/proc/dbcsr_get_data_p_c.html @@ -177,7 +177,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -212,7 +212,7 @@

    Arguments

    Return Value - + complex(kind=real_4), DIMENSION(:), POINTER, CONTIGUOUS

    diff --git a/develop/proc/dbcsr_get_data_p_d.html b/develop/proc/dbcsr_get_data_p_d.html index 1ca20d3a0a6..97d1620dffa 100644 --- a/develop/proc/dbcsr_get_data_p_d.html +++ b/develop/proc/dbcsr_get_data_p_d.html @@ -177,7 +177,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -212,7 +212,7 @@

    Arguments

    Return Value - + real(kind=real_8), DIMENSION(:), POINTER, CONTIGUOUS

    diff --git a/develop/proc/dbcsr_get_data_p_s.html b/develop/proc/dbcsr_get_data_p_s.html index e483b9e327f..d9a8497f3ec 100644 --- a/develop/proc/dbcsr_get_data_p_s.html +++ b/develop/proc/dbcsr_get_data_p_s.html @@ -177,7 +177,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -212,7 +212,7 @@

    Arguments

    Return Value - + real(kind=real_4), DIMENSION(:), POINTER, CONTIGUOUS

    diff --git a/develop/proc/dbcsr_get_data_p_z.html b/develop/proc/dbcsr_get_data_p_z.html index b36209d5c11..1830ecedfa3 100644 --- a/develop/proc/dbcsr_get_data_p_z.html +++ b/develop/proc/dbcsr_get_data_p_z.html @@ -177,7 +177,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -212,7 +212,7 @@

    Arguments

    Return Value - + complex(kind=real_8), DIMENSION(:), POINTER, CONTIGUOUS

    diff --git a/develop/proc/dbcsr_get_data_s.html b/develop/proc/dbcsr_get_data_s.html index 24b252c0636..7fe04a34c79 100644 --- a/develop/proc/dbcsr_get_data_s.html +++ b/develop/proc/dbcsr_get_data_s.html @@ -158,7 +158,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -221,7 +221,7 @@

    Arguments

    Return Value - + real(kind=real_4), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_get_data_size.html b/develop/proc/dbcsr_get_data_size.html index b4f63081e2b..d4a6f1b8485 100644 --- a/develop/proc/dbcsr_get_data_size.html +++ b/develop/proc/dbcsr_get_data_size.html @@ -74,20 +74,20 @@

    dbcsr_get_data_size
  • 9 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public function dbcsr_get_data_size(matrix) result(data_size)

    -

    Returns the allocated data size of a DBCSR matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -177,11 +176,11 @@

    Arguments

    Return Value - + integer

    -

    size of data

    +
    @@ -197,22 +196,10 @@

    Return Value

    Source Code

       FUNCTION dbcsr_get_data_size(matrix) RESULT(data_size)
-      !! Returns the allocated data size of a DBCSR matrix
-
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         !! matrix
       INTEGER                                            :: data_size
-         !! size of data
-
-      INTEGER                                            :: data_type
 
-      data_size = 0
-      data_type = dbcsr_get_data_type(matrix)
-      IF (data_type .NE. dbcsr_type_real_8 .AND. &
-          data_type .NE. dbcsr_type_real_4 .AND. &
-          data_type .NE. dbcsr_type_complex_8 .AND. &
-          data_type .NE. dbcsr_type_complex_4) DBCSR_ABORT("Incorrect data type")
-      data_size = dbcsr_data_get_size(matrix%data_area)
+      data_size = dbcsr_get_data_size_prv(matrix%prv)
    END FUNCTION dbcsr_get_data_size
    diff --git a/develop/proc/dbcsr_get_data_size_used.html b/develop/proc/dbcsr_get_data_size_used.html index 20ebaecd107..6368212c5c3 100644 --- a/develop/proc/dbcsr_get_data_size_used.html +++ b/develop/proc/dbcsr_get_data_size_used.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_get_data_size~2.html b/develop/proc/dbcsr_get_data_size~2.html index 8c1715b32e4..11604a9d343 100644 --- a/develop/proc/dbcsr_get_data_size~2.html +++ b/develop/proc/dbcsr_get_data_size~2.html @@ -74,20 +74,20 @@

    dbcsr_get_data_size
  • 5 statements + title=" 0.0% of total for procedures.">9 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public function dbcsr_get_data_size(matrix) result(data_size)

    +

    Returns the allocated data size of a DBCSR matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -176,11 +177,11 @@

    Arguments

    Return Value - + integer

    - +

    size of data


    @@ -196,10 +197,22 @@

    Return Value

    Source Code

       FUNCTION dbcsr_get_data_size(matrix) RESULT(data_size)
+      !! Returns the allocated data size of a DBCSR matrix
+
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         !! matrix
       INTEGER                                            :: data_size
+         !! size of data
+
+      INTEGER                                            :: data_type
 
-      data_size = dbcsr_get_data_size_prv(matrix%prv)
+      data_size = 0
+      data_type = dbcsr_get_data_type(matrix)
+      IF (data_type .NE. dbcsr_type_real_8 .AND. &
+          data_type .NE. dbcsr_type_real_4 .AND. &
+          data_type .NE. dbcsr_type_complex_8 .AND. &
+          data_type .NE. dbcsr_type_complex_4) DBCSR_ABORT("Incorrect data type")
+      data_size = dbcsr_data_get_size(matrix%data_area)
    END FUNCTION dbcsr_get_data_size
    diff --git a/develop/proc/dbcsr_get_data_type.html b/develop/proc/dbcsr_get_data_type.html index 156e4ca1478..3e4ea99541f 100644 --- a/develop/proc/dbcsr_get_data_type.html +++ b/develop/proc/dbcsr_get_data_type.html @@ -79,15 +79,15 @@

    dbcsr_get_data_type
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public pure function dbcsr_get_data_type(matrix) result(data_type)

    -

    Returns the data type stored in the matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -177,11 +176,11 @@

    Arguments

    Return Value - + integer

    -

    data_type (see dbcsr_types.F for possible values)

    +
    @@ -197,14 +196,10 @@

    Return Value

    Source Code

       PURE FUNCTION dbcsr_get_data_type(matrix) RESULT(data_type)
-      !! Returns the data type stored in the matrix
-
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         !! query this matrix
       INTEGER                                            :: data_type
-         !! data_type (see dbcsr_types.F for possible values)
 
-      data_type = matrix%data_type
+      data_type = dbcsr_get_data_type_prv(matrix%prv)
    END FUNCTION dbcsr_get_data_type
    diff --git a/develop/proc/dbcsr_get_data_type~2.html b/develop/proc/dbcsr_get_data_type~2.html index dfb545f1991..53e974cbb95 100644 --- a/develop/proc/dbcsr_get_data_type~2.html +++ b/develop/proc/dbcsr_get_data_type~2.html @@ -79,15 +79,15 @@

    dbcsr_get_data_type
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public pure function dbcsr_get_data_type(matrix) result(data_type)

    +

    Returns the data type stored in the matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -176,11 +177,11 @@

    Arguments

    Return Value - + integer

    - +

    data_type (see dbcsr_types.F for possible values)


    @@ -196,10 +197,14 @@

    Return Value

    Source Code

       PURE FUNCTION dbcsr_get_data_type(matrix) RESULT(data_type)
+      !! Returns the data type stored in the matrix
+
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         !! query this matrix
       INTEGER                                            :: data_type
+         !! data_type (see dbcsr_types.F for possible values)
 
-      data_type = dbcsr_get_data_type_prv(matrix%prv)
+      data_type = matrix%data_type
    END FUNCTION dbcsr_get_data_type
    diff --git a/develop/proc/dbcsr_get_data_z.html b/develop/proc/dbcsr_get_data_z.html index 0a0b946d30d..867b4688b4f 100644 --- a/develop/proc/dbcsr_get_data_z.html +++ b/develop/proc/dbcsr_get_data_z.html @@ -158,7 +158,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -221,7 +221,7 @@

    Arguments

    Return Value - + complex(kind=real_8), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_get_default_config.html b/develop/proc/dbcsr_get_default_config.html index e24e091cf4b..78861bc9871 100644 --- a/develop/proc/dbcsr_get_default_config.html +++ b/develop/proc/dbcsr_get_default_config.html @@ -74,7 +74,7 @@

    dbcsr_get_default_config
  • 46 statements + title=" 0.1% of total for procedures.">42 statements
  • @@ -248,7 +248,7 @@

    Arguments

    • @@ -585,11 +585,7 @@

    Source Code

    IF (PRESENT(use_mempools_cpu)) use_mempools_cpu = dbcsr_cfg%use_mempools_cpu%defval IF (PRESENT(nstacks)) nstacks = dbcsr_cfg%n_stacks%defval IF (PRESENT(tas_split_factor)) tas_split_factor = dbcsr_cfg%tas_split_factor%defval -#if defined(__DBCSR_ACC_G2G) IF (PRESENT(use_acc_g2g)) use_acc_g2g = dbcsr_cfg%use_acc_g2g%defval -#else - MARK_USED(use_acc_g2g) -#endif END SUBROUTINE dbcsr_get_default_config diff --git a/develop/proc/dbcsr_get_default_logger.html b/develop/proc/dbcsr_get_default_logger.html index b10bef47a35..415782cc01e 100644 --- a/develop/proc/dbcsr_get_default_logger.html +++ b/develop/proc/dbcsr_get_default_logger.html @@ -155,7 +155,7 @@

    Arguments


    Return Value - + type(dbcsr_logger_type), POINTER

    diff --git a/develop/proc/dbcsr_get_diag_c.html b/develop/proc/dbcsr_get_diag_c.html index e470768a8f1..d960c85dea5 100644 --- a/develop/proc/dbcsr_get_diag_c.html +++ b/develop/proc/dbcsr_get_diag_c.html @@ -74,20 +74,20 @@

    dbcsr_get_diag_c
  • 25 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_global_row_map.html b/develop/proc/dbcsr_get_global_row_map.html index 4c51d992402..2a2a91bc8f9 100644 --- a/develop/proc/dbcsr_get_global_row_map.html +++ b/develop/proc/dbcsr_get_global_row_map.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_global_vcol_map.html b/develop/proc/dbcsr_get_global_vcol_map.html index d0312dc20ec..ef35de5bcc4 100644 --- a/develop/proc/dbcsr_get_global_vcol_map.html +++ b/develop/proc/dbcsr_get_global_vcol_map.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_global_vrow_map.html b/develop/proc/dbcsr_get_global_vrow_map.html index fad782218cb..450c85f2a49 100644 --- a/develop/proc/dbcsr_get_global_vrow_map.html +++ b/develop/proc/dbcsr_get_global_vrow_map.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_index_memory_type.html b/develop/proc/dbcsr_get_index_memory_type.html index 0eae75f7ea6..46dd7fa3e45 100644 --- a/develop/proc/dbcsr_get_index_memory_type.html +++ b/develop/proc/dbcsr_get_index_memory_type.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + type(dbcsr_memtype_type)

    diff --git a/develop/proc/dbcsr_get_info.html b/develop/proc/dbcsr_get_info.html index bbaddb0e9c3..701924a0afd 100644 --- a/develop/proc/dbcsr_get_info.html +++ b/develop/proc/dbcsr_get_info.html @@ -74,20 +74,20 @@

    dbcsr_get_info
  • 35 statements + title=" 0.0% of total for procedures.">16 statements
  • - Source File + Source File
    • @@ -139,11 +139,10 @@

    Contents

    -

    public subroutine dbcsr_get_info(matrix, nblkrows_total, nblkcols_total, nfullrows_total, nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, my_prow, my_pcol, local_rows, local_cols, proc_row_dist, proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, data_area, matrix_type, data_type, group) +

    public subroutine dbcsr_get_info(matrix, nblkrows_total, nblkcols_total, nfullrows_total, nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, my_prow, my_pcol, local_rows, local_cols, proc_row_dist, proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, matrix_type, data_type, group)

    -

    Gets information about a matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -189,7 +188,7 @@

    Arguments

    @@ -204,7 +203,7 @@

    Arguments

    @@ -219,7 +218,7 @@

    Arguments

    @@ -234,7 +233,7 @@

    Arguments

    @@ -249,7 +248,7 @@

    Arguments

    @@ -264,7 +263,7 @@

    Arguments

    @@ -279,7 +278,7 @@

    Arguments

    @@ -324,7 +323,7 @@

    Arguments

    @@ -339,7 +338,7 @@

    Arguments

    @@ -354,7 +353,7 @@

    Arguments

    @@ -369,7 +368,7 @@

    Arguments

    @@ -384,7 +383,7 @@

    Arguments

    @@ -399,7 +398,7 @@

    Arguments

    @@ -414,7 +413,7 @@

    Arguments

    @@ -429,7 +428,7 @@

    Arguments

    @@ -444,8 +443,8 @@

    Arguments

    @@ -469,22 +468,7 @@

    Arguments

    - - - - - - - - @@ -492,35 +476,35 @@

    Arguments

    character(len=1), - + - + @@ -293,7 +294,7 @@

    Arguments

    @@ -308,7 +309,7 @@

    Arguments

    @@ -323,7 +324,7 @@

    Arguments

    @@ -338,7 +339,7 @@

    Arguments

    @@ -383,7 +384,7 @@

    Arguments

    @@ -398,7 +399,7 @@

    Arguments

    @@ -413,7 +414,7 @@

    Arguments

    @@ -428,7 +429,7 @@

    Arguments

    @@ -444,7 +445,7 @@

    Arguments

    @@ -468,22 +469,37 @@

    Arguments

    + + + + + + + + @@ -491,20 +507,20 @@

    Arguments

    integer, - + @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_local_rows.html b/develop/proc/dbcsr_get_local_rows.html index 344d6a883de..3e269ea95da 100644 --- a/develop/proc/dbcsr_get_local_rows.html +++ b/develop/proc/dbcsr_get_local_rows.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_local_vcols.html b/develop/proc/dbcsr_get_local_vcols.html index 497c8f7a7e3..a63bd74fa76 100644 --- a/develop/proc/dbcsr_get_local_vcols.html +++ b/develop/proc/dbcsr_get_local_vcols.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_local_vrows.html b/develop/proc/dbcsr_get_local_vrows.html index 6ab7b89b8fe..3e626c1687b 100644 --- a/develop/proc/dbcsr_get_local_vrows.html +++ b/develop/proc/dbcsr_get_local_vrows.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_matrix_type.html b/develop/proc/dbcsr_get_matrix_type.html index ab5e4f22494..7bc3ada5c72 100644 --- a/develop/proc/dbcsr_get_matrix_type.html +++ b/develop/proc/dbcsr_get_matrix_type.html @@ -74,20 +74,20 @@

    dbcsr_get_matrix_type
  • 18 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public pure function dbcsr_get_matrix_type(matrix) result(matrix_type)

    -

    Returns the matrix type

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -177,11 +176,11 @@

    Arguments

    Return Value - + character(len=1)

    -

    matrix_type (see dbcsr_types.F for possible values)

    +
    @@ -197,28 +196,11 @@

    Return Value

    Source Code

       PURE FUNCTION dbcsr_get_matrix_type(matrix) RESULT(matrix_type)
-      !! Returns the matrix type
-
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         !! query this matrix
       CHARACTER                                          :: matrix_type
-         !! matrix_type (see dbcsr_types.F for possible values)
 
-      matrix_type = dbcsr_type_invalid
-      IF (matrix%symmetry) THEN
-         IF ((.NOT. matrix%negate_real) .AND. matrix%negate_imaginary) THEN
-            matrix_type = dbcsr_type_hermitian
-         ELSEIF (matrix%negate_real .AND. (.NOT. matrix%negate_imaginary)) THEN
-            matrix_type = dbcsr_type_antihermitian
-         ELSEIF (matrix%negate_real .AND. matrix%negate_imaginary) THEN
-            matrix_type = dbcsr_type_antisymmetric
-         ELSEIF ((.NOT. matrix%negate_real) .AND. (.NOT. matrix%negate_imaginary)) THEN
-            matrix_type = dbcsr_type_symmetric
-         END IF
-      ELSE
-         matrix_type = dbcsr_type_no_symmetry
-      END IF
-   END FUNCTION dbcsr_get_matrix_type
+      matrix_type = dbcsr_get_matrix_type_prv(matrix%prv)
+   END FUNCTION dbcsr_get_matrix_type
    diff --git a/develop/proc/dbcsr_get_matrix_type~2.html b/develop/proc/dbcsr_get_matrix_type~2.html index bca535d40a1..8131af48e71 100644 --- a/develop/proc/dbcsr_get_matrix_type~2.html +++ b/develop/proc/dbcsr_get_matrix_type~2.html @@ -74,20 +74,20 @@

    dbcsr_get_matrix_type
  • 5 statements + title=" 0.0% of total for procedures.">18 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public pure function dbcsr_get_matrix_type(matrix) result(matrix_type)

    +

    Returns the matrix type

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -176,11 +177,11 @@

    Arguments

    Return Value - + character(len=1)

    - +

    matrix_type (see dbcsr_types.F for possible values)


    @@ -196,11 +197,28 @@

    Return Value

    Source Code

       PURE FUNCTION dbcsr_get_matrix_type(matrix) RESULT(matrix_type)
+      !! Returns the matrix type
+
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         !! query this matrix
       CHARACTER                                          :: matrix_type
+         !! matrix_type (see dbcsr_types.F for possible values)
 
-      matrix_type = dbcsr_get_matrix_type_prv(matrix%prv)
-   END FUNCTION dbcsr_get_matrix_type
+      matrix_type = dbcsr_type_invalid
+      IF (matrix%symmetry) THEN
+         IF ((.NOT. matrix%negate_real) .AND. matrix%negate_imaginary) THEN
+            matrix_type = dbcsr_type_hermitian
+         ELSEIF (matrix%negate_real .AND. (.NOT. matrix%negate_imaginary)) THEN
+            matrix_type = dbcsr_type_antihermitian
+         ELSEIF (matrix%negate_real .AND. matrix%negate_imaginary) THEN
+            matrix_type = dbcsr_type_antisymmetric
+         ELSEIF ((.NOT. matrix%negate_real) .AND. (.NOT. matrix%negate_imaginary)) THEN
+            matrix_type = dbcsr_type_symmetric
+         END IF
+      ELSE
+         matrix_type = dbcsr_type_no_symmetry
+      END IF
+   END FUNCTION dbcsr_get_matrix_type
    diff --git a/develop/proc/dbcsr_get_num_blocks.html b/develop/proc/dbcsr_get_num_blocks.html index 19c89e0ca0d..9fac9b0001b 100644 --- a/develop/proc/dbcsr_get_num_blocks.html +++ b/develop/proc/dbcsr_get_num_blocks.html @@ -79,15 +79,15 @@

    dbcsr_get_num_blocks
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public pure function dbcsr_get_num_blocks(matrix) result(num_blocks)

    -

    Returns the number of blocks in the matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -177,7 +176,7 @@

    Arguments

    Return Value - + integer

    @@ -197,13 +196,10 @@

    Return Value

    Source Code

       PURE FUNCTION dbcsr_get_num_blocks(matrix) RESULT(num_blocks)
-      !! Returns the number of blocks in the matrix
-
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         !! matrix from which to get data
       INTEGER                                            :: num_blocks
 
-      num_blocks = matrix%nblks
+      num_blocks = dbcsr_get_num_blocks_prv(matrix%prv)
    END FUNCTION dbcsr_get_num_blocks
    diff --git a/develop/proc/dbcsr_get_num_blocks~2.html b/develop/proc/dbcsr_get_num_blocks~2.html index 4d2b532c5f3..5dc2ea5d73c 100644 --- a/develop/proc/dbcsr_get_num_blocks~2.html +++ b/develop/proc/dbcsr_get_num_blocks~2.html @@ -79,15 +79,15 @@

    dbcsr_get_num_blocks
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public pure function dbcsr_get_num_blocks(matrix) result(num_blocks)

    +

    Returns the number of blocks in the matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -196,10 +197,13 @@

    Return Value

    Source Code

       PURE FUNCTION dbcsr_get_num_blocks(matrix) RESULT(num_blocks)
+      !! Returns the number of blocks in the matrix
+
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         !! matrix from which to get data
       INTEGER                                            :: num_blocks
 
-      num_blocks = dbcsr_get_num_blocks_prv(matrix%prv)
+      num_blocks = matrix%nblks
    END FUNCTION dbcsr_get_num_blocks
    diff --git a/develop/proc/dbcsr_get_nze.html b/develop/proc/dbcsr_get_nze.html index e2ec2351edb..e1c09630744 100644 --- a/develop/proc/dbcsr_get_nze.html +++ b/develop/proc/dbcsr_get_nze.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_occupation.html b/develop/proc/dbcsr_get_occupation.html index 7429df66ba9..ea9bd6a065b 100644 --- a/develop/proc/dbcsr_get_occupation.html +++ b/develop/proc/dbcsr_get_occupation.html @@ -74,20 +74,20 @@

    dbcsr_get_occupation
  • 29 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public function dbcsr_get_occupation(matrix) result(occupation)

    -

    Returns the occupation of the matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -177,7 +176,7 @@

    Arguments

    Return Value - + real(kind=real_8)

    @@ -197,45 +196,11 @@

    Return Value

    Source Code

       FUNCTION dbcsr_get_occupation(matrix) RESULT(occupation)
-      !! Returns the occupation of the matrix
-
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         !! matrix from which to get the occupation
       REAL(KIND=real_8)                                  :: occupation
 
-      INTEGER                                            :: nfullcols, nfullrows
-      INTEGER(KIND=int_8)                                :: nze_global
-      INTEGER, DIMENSION(:), POINTER                     :: row_blk_size
-
-      nze_global = matrix%nze
-      CALL mp_sum(nze_global, dbcsr_mp_group(dbcsr_distribution_mp(matrix%dist)))
-
-      nfullrows = dbcsr_nfullrows_total(matrix)
-      nfullcols = dbcsr_nfullcols_total(matrix)
-
-      row_blk_size => array_data(matrix%row_blk_size)
-
-      IF (nfullrows .NE. 0 .AND. nfullcols .NE. 0) THEN
-         IF (dbcsr_has_symmetry(matrix)) THEN
-            IF (2*nze_global .EQ. &
-                (INT(nfullrows, KIND=int_8)*INT(nfullrows + 1, KIND=int_8) + SUM(row_blk_size*(row_blk_size - 1)))) THEN
-               occupation = 1.0_real_8
-            ELSE
-               occupation = 2.0_real_8*REAL(nze_global, real_8)/ &
-                            (REAL(nfullrows, real_8)*REAL(nfullrows + 1, real_8) + &
-                             SUM(REAL(row_blk_size, real_8)*REAL(row_blk_size - 1, real_8)))
-            END IF
-         ELSE
-            IF (nze_global .EQ. INT(nfullrows, KIND=int_8)*INT(nfullcols, KIND=int_8)) THEN
-               occupation = 1.0_real_8
-            ELSE
-               occupation = REAL(nze_global, real_8)/(REAL(nfullrows, real_8)*REAL(nfullcols, real_8))
-            END IF
-         END IF
-      ELSE
-         occupation = 0.0_real_8
-      END IF
-   END FUNCTION dbcsr_get_occupation
+      occupation = dbcsr_get_occupation_prv(matrix%prv)
+   END FUNCTION dbcsr_get_occupation
    diff --git a/develop/proc/dbcsr_get_occupation~2.html b/develop/proc/dbcsr_get_occupation~2.html index 5a21bbc00a3..cba90abaf5c 100644 --- a/develop/proc/dbcsr_get_occupation~2.html +++ b/develop/proc/dbcsr_get_occupation~2.html @@ -74,20 +74,20 @@

    dbcsr_get_occupation
  • 5 statements + title=" 0.0% of total for procedures.">29 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public function dbcsr_get_occupation(matrix) result(occupation)

    +

    Returns the occupation of the matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -176,7 +177,7 @@

    Arguments

    Return Value - + real(kind=real_8)

    @@ -196,11 +197,45 @@

    Return Value

    Source Code

       FUNCTION dbcsr_get_occupation(matrix) RESULT(occupation)
+      !! Returns the occupation of the matrix
+
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         !! matrix from which to get the occupation
       REAL(KIND=real_8)                                  :: occupation
 
-      occupation = dbcsr_get_occupation_prv(matrix%prv)
-   END FUNCTION dbcsr_get_occupation
+      INTEGER                                            :: nfullcols, nfullrows
+      INTEGER(KIND=int_8)                                :: nze_global
+      INTEGER, DIMENSION(:), POINTER                     :: row_blk_size
+
+      nze_global = matrix%nze
+      CALL mp_sum(nze_global, dbcsr_mp_group(dbcsr_distribution_mp(matrix%dist)))
+
+      nfullrows = dbcsr_nfullrows_total(matrix)
+      nfullcols = dbcsr_nfullcols_total(matrix)
+
+      row_blk_size => array_data(matrix%row_blk_size)
+
+      IF (nfullrows .NE. 0 .AND. nfullcols .NE. 0) THEN
+         IF (dbcsr_has_symmetry(matrix)) THEN
+            IF (2*nze_global .EQ. &
+                (INT(nfullrows, KIND=int_8)*INT(nfullrows + 1, KIND=int_8) + SUM(row_blk_size*(row_blk_size - 1)))) THEN
+               occupation = 1.0_real_8
+            ELSE
+               occupation = 2.0_real_8*REAL(nze_global, real_8)/ &
+                            (REAL(nfullrows, real_8)*REAL(nfullrows + 1, real_8) + &
+                             SUM(REAL(row_blk_size, real_8)*REAL(row_blk_size - 1, real_8)))
+            END IF
+         ELSE
+            IF (nze_global .EQ. INT(nfullrows, KIND=int_8)*INT(nfullcols, KIND=int_8)) THEN
+               occupation = 1.0_real_8
+            ELSE
+               occupation = REAL(nze_global, real_8)/(REAL(nfullrows, real_8)*REAL(nfullcols, real_8))
+            END IF
+         END IF
+      ELSE
+         occupation = 0.0_real_8
+      END IF
+   END FUNCTION dbcsr_get_occupation
    diff --git a/develop/proc/dbcsr_get_replication_type.html b/develop/proc/dbcsr_get_replication_type.html index f08946797ff..b8c6c867630 100644 --- a/develop/proc/dbcsr_get_replication_type.html +++ b/develop/proc/dbcsr_get_replication_type.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + character(len=1)

    diff --git a/develop/proc/dbcsr_get_stored_block_info.html b/develop/proc/dbcsr_get_stored_block_info.html index 49e71f1c9b9..a00b27b2d29 100644 --- a/develop/proc/dbcsr_get_stored_block_info.html +++ b/develop/proc/dbcsr_get_stored_block_info.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    @@ -207,7 +207,7 @@

    Arguments

    @@ -222,7 +222,7 @@

    Arguments

    @@ -267,7 +267,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_stored_coordinates.html b/develop/proc/dbcsr_get_stored_coordinates.html index acd4563f64b..7fab5f76409 100644 --- a/develop/proc/dbcsr_get_stored_coordinates.html +++ b/develop/proc/dbcsr_get_stored_coordinates.html @@ -161,7 +161,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    @@ -192,7 +192,7 @@

    Arguments

    @@ -208,7 +208,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_stored_coordinates~2.html b/develop/proc/dbcsr_get_stored_coordinates~2.html index bada867c742..601fb7a1b8c 100644 --- a/develop/proc/dbcsr_get_stored_coordinates~2.html +++ b/develop/proc/dbcsr_get_stored_coordinates~2.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_get_wms_data_c.html b/develop/proc/dbcsr_get_wms_data_c.html index cc000a2ac28..6e6a3f6e0b8 100644 --- a/develop/proc/dbcsr_get_wms_data_c.html +++ b/develop/proc/dbcsr_get_wms_data_c.html @@ -158,7 +158,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -236,7 +236,7 @@

    Arguments

    Return Value - + complex(kind=real_4), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_get_wms_data_d.html b/develop/proc/dbcsr_get_wms_data_d.html index 26b345bb057..4ed874ea2b4 100644 --- a/develop/proc/dbcsr_get_wms_data_d.html +++ b/develop/proc/dbcsr_get_wms_data_d.html @@ -158,7 +158,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -236,7 +236,7 @@

    Arguments

    Return Value - + real(kind=real_8), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_get_wms_data_s.html b/develop/proc/dbcsr_get_wms_data_s.html index bf5f23cb3db..f204755a682 100644 --- a/develop/proc/dbcsr_get_wms_data_s.html +++ b/develop/proc/dbcsr_get_wms_data_s.html @@ -158,7 +158,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -236,7 +236,7 @@

    Arguments

    Return Value - + real(kind=real_4), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_get_wms_data_z.html b/develop/proc/dbcsr_get_wms_data_z.html index 41bd4f63f15..2739d258a33 100644 --- a/develop/proc/dbcsr_get_wms_data_z.html +++ b/develop/proc/dbcsr_get_wms_data_z.html @@ -158,7 +158,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -236,7 +236,7 @@

    Arguments

    Return Value - + complex(kind=real_8), DIMENSION(:), POINTER

    diff --git a/develop/proc/dbcsr_hadamard_product.html b/develop/proc/dbcsr_hadamard_product.html index b22f869dd48..8017e2b4e5d 100644 --- a/develop/proc/dbcsr_hadamard_product.html +++ b/develop/proc/dbcsr_hadamard_product.html @@ -74,20 +74,20 @@

    dbcsr_hadamard_product
  • 82 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,8 +143,6 @@

    public subroutine dbcsr_hadamard_product(matrix_a, matrix_b, matrix_c, b_as

    -

    Hadamard product -C = A . B (C needs to be different from A and B)

    Arguments

    @@ -160,8 +158,8 @@

    Arguments

    @@ -237,121 +233,12 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_hadamard_product(matrix_a, matrix_b, matrix_c, &
-                                     b_assume_value)
-      !! Hadamard product
-      !! C = A . B (C needs to be different from A and B)
-
+    
       SUBROUTINE dbcsr_hadamard_product(matrix_a, matrix_b, matrix_c, b_assume_value)
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a, matrix_b
-         !! DBCSR matrix
-         !! DBCSR matrix
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_c
-         !! DBCSR matrix
       REAL(KIND=dp), INTENT(IN), OPTIONAL                :: b_assume_value
 
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_hadamard_product'
-
-      INTEGER                                            :: blk, col, col_size, data_type, handle, &
-                                                            nze, row, row_size
-      LOGICAL                                            :: assume_blocks_in_b, found, tr_a, tr_b
-      REAL(KIND=dp)                                      :: assumed_b_value
-      TYPE(dbcsr_data_obj)                               :: a_data, b_data, c_data
-      TYPE(dbcsr_iterator)                               :: iter
-
-!   ---------------------------------------------------------------------------
-
-      IF (PRESENT(b_assume_value)) THEN
-         assume_blocks_in_b = .TRUE.
-         assumed_b_value = b_assume_value
-      ELSE
-         assume_blocks_in_b = .FALSE.
-         assumed_b_value = 0.0_dp
-      END IF
-
-      CALL timeset(routineN, handle)
-      IF (dbcsr_get_data_type(matrix_a) .NE. dbcsr_get_data_type(matrix_b) .OR. &
-          dbcsr_get_data_type(matrix_a) .NE. dbcsr_get_data_type(matrix_c)) &
-         DBCSR_ABORT("data types not consistent, need to fix that")
-
-      IF (dbcsr_nblkrows_total(matrix_a) .NE. dbcsr_nblkrows_total(matrix_b) .OR. &
-          dbcsr_nblkrows_total(matrix_c) .NE. dbcsr_nblkrows_total(matrix_a)) &
-         DBCSR_ABORT("matrices not consistent")
-
-      data_type = dbcsr_get_data_type(matrix_a)
-      CALL dbcsr_data_init(c_data)
-      CALL dbcsr_data_new(c_data, data_type, &
-                          data_size=dbcsr_max_row_size(matrix_a)*dbcsr_max_col_size(matrix_a))
-      CALL dbcsr_zero(matrix_c)
-      CALL dbcsr_data_init(a_data)
-      CALL dbcsr_data_new(a_data, data_type)
-      CALL dbcsr_data_init(b_data)
-      CALL dbcsr_data_new(b_data, data_type)
-      CALL dbcsr_iterator_start(iter, matrix_a)
-      DO WHILE (dbcsr_iterator_blocks_left(iter))
-         SELECT CASE (dbcsr_get_data_type(matrix_a))
-            !CASE (dbcsr_type_real_4)
-         CASE (dbcsr_type_real_8)
-            CALL dbcsr_iterator_next_block(iter, row, col, a_data, tr_a, blk, &
-                                           row_size=row_size, col_size=col_size)
-            nze = row_size*col_size
-            CALL dbcsr_get_block_p(matrix_b, row, col, b_data, tr_b, found)
-            IF (tr_a .NEQV. tr_b) &
-               DBCSR_ABORT("tr not consistent, need to fix that")
-            IF (found) THEN
-               SELECT CASE (data_type)
-               CASE (dbcsr_type_real_4)
-                  c_data%d%r_sp(1:nze) = a_data%d%r_sp(1:nze)*b_data%d%r_sp(1:nze)
-                  CALL dbcsr_put_block(matrix_c, row, col, c_data%d%r_sp(1:nze), transposed=tr_a, &
-                                       summation=.FALSE.)
-               CASE (dbcsr_type_real_8)
-                  c_data%d%r_dp(1:nze) = a_data%d%r_dp(1:nze)*b_data%d%r_dp(1:nze)
-                  CALL dbcsr_put_block(matrix_c, row, col, c_data%d%r_dp(1:nze), transposed=tr_a, &
-                                       summation=.FALSE.)
-               CASE (dbcsr_type_complex_4)
-                  c_data%d%c_sp(1:nze) = a_data%d%c_sp(1:nze)*b_data%d%c_sp(1:nze)
-                  CALL dbcsr_put_block(matrix_c, row, col, c_data%d%c_sp(1:nze), transposed=tr_a, &
-                                       summation=.FALSE.)
-               CASE (dbcsr_type_complex_8)
-                  c_data%d%c_dp(1:nze) = a_data%d%c_dp(1:nze)*b_data%d%c_dp(1:nze)
-                  CALL dbcsr_put_block(matrix_c, row, col, c_data%d%c_dp(1:nze), transposed=tr_a, &
-                                       summation=.FALSE.)
-               END SELECT
-            ELSE
-               IF (assume_blocks_in_b) THEN ! this makes not too much sense, to delete ?
-                  SELECT CASE (data_type)
-                  CASE (dbcsr_type_real_4)
-                     c_data%d%r_sp(1:nze) = a_data%d%r_sp(1:nze)*REAL(assumed_b_value, KIND=sp)
-                     CALL dbcsr_put_block(matrix_c, row, col, c_data%d%r_sp(1:nze), transposed=tr_a, &
-                                          summation=.FALSE.)
-                  CASE (dbcsr_type_real_8)
-                     c_data%d%r_dp(1:nze) = a_data%d%r_dp(1:nze)*assumed_b_value
-                     CALL dbcsr_put_block(matrix_c, row, col, c_data%d%r_dp(1:nze), transposed=tr_a, &
-                                          summation=.FALSE.)
-                  CASE (dbcsr_type_complex_4)
-                     c_data%d%c_sp(1:nze) = a_data%d%c_sp(1:nze)*REAL(assumed_b_value, KIND=sp)
-                     CALL dbcsr_put_block(matrix_c, row, col, c_data%d%c_sp(1:nze), transposed=tr_a, &
-                                          summation=.FALSE.)
-                  CASE (dbcsr_type_complex_8)
-                     c_data%d%c_dp(1:nze) = a_data%d%c_dp(1:nze)*assumed_b_value
-                     CALL dbcsr_put_block(matrix_c, row, col, c_data%d%c_dp(1:nze), transposed=tr_a, &
-                                          summation=.FALSE.)
-                  END SELECT
-               END IF
-            END IF
-            !CASE (dbcsr_type_complex_4)
-            !CASE (dbcsr_type_complex_8)
-         CASE DEFAULT
-            DBCSR_ABORT("Only real double precision")
-         END SELECT
-      END DO
-      CALL dbcsr_iterator_stop(iter)
-      CALL dbcsr_finalize(matrix_c)
-      CALL dbcsr_data_clear_pointer(a_data)
-      CALL dbcsr_data_clear_pointer(b_data)
-      CALL dbcsr_data_release(c_data)
-      CALL dbcsr_data_release(a_data)
-      CALL dbcsr_data_release(b_data)
-      CALL timestop(handle)
+      CALL dbcsr_hadamard_product_prv(matrix_a%prv, matrix_b%prv, matrix_c%prv, b_assume_value)
    END SUBROUTINE dbcsr_hadamard_product
 
    
 
diff --git a/develop/proc/dbcsr_hadamard_product~2.html b/develop/proc/dbcsr_hadamard_product~2.html
index e6144aeea48..e75ac0fcc8b 100644
--- a/develop/proc/dbcsr_hadamard_product~2.html
+++ b/develop/proc/dbcsr_hadamard_product~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_hadamard_product
 
             
  • 
               6 statements
+                 title=" 0.1% of total for procedures.">82 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,6 +143,8 @@

    public subroutine dbcsr_hadamard_product(matrix_a, matrix_b, matrix_c, b_as

    +

    Hadamard product +C = A . B (C needs to be different from A and B)

    Arguments

    @@ -158,8 +160,8 @@

    Arguments

    @@ -233,12 +237,121 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_hadamard_product(matrix_a, matrix_b, matrix_c, b_assume_value)
+    
       SUBROUTINE dbcsr_hadamard_product(matrix_a, matrix_b, matrix_c, &
+                                     b_assume_value)
+      !! Hadamard product
+      !! C = A . B (C needs to be different from A and B)
+
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a, matrix_b
+         !! DBCSR matrix
+         !! DBCSR matrix
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_c
+         !! DBCSR matrix
       REAL(KIND=dp), INTENT(IN), OPTIONAL                :: b_assume_value
 
-      CALL dbcsr_hadamard_product_prv(matrix_a%prv, matrix_b%prv, matrix_c%prv, b_assume_value)
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_hadamard_product'
+
+      INTEGER                                            :: blk, col, col_size, data_type, handle, &
+                                                            nze, row, row_size
+      LOGICAL                                            :: assume_blocks_in_b, found, tr_a, tr_b
+      REAL(KIND=dp)                                      :: assumed_b_value
+      TYPE(dbcsr_data_obj)                               :: a_data, b_data, c_data
+      TYPE(dbcsr_iterator)                               :: iter
+
+!   ---------------------------------------------------------------------------
+
+      IF (PRESENT(b_assume_value)) THEN
+         assume_blocks_in_b = .TRUE.
+         assumed_b_value = b_assume_value
+      ELSE
+         assume_blocks_in_b = .FALSE.
+         assumed_b_value = 0.0_dp
+      END IF
+
+      CALL timeset(routineN, handle)
+      IF (dbcsr_get_data_type(matrix_a) .NE. dbcsr_get_data_type(matrix_b) .OR. &
+          dbcsr_get_data_type(matrix_a) .NE. dbcsr_get_data_type(matrix_c)) &
+         DBCSR_ABORT("data types not consistent, need to fix that")
+
+      IF (dbcsr_nblkrows_total(matrix_a) .NE. dbcsr_nblkrows_total(matrix_b) .OR. &
+          dbcsr_nblkrows_total(matrix_c) .NE. dbcsr_nblkrows_total(matrix_a)) &
+         DBCSR_ABORT("matrices not consistent")
+
+      data_type = dbcsr_get_data_type(matrix_a)
+      CALL dbcsr_data_init(c_data)
+      CALL dbcsr_data_new(c_data, data_type, &
+                          data_size=dbcsr_max_row_size(matrix_a)*dbcsr_max_col_size(matrix_a))
+      CALL dbcsr_zero(matrix_c)
+      CALL dbcsr_data_init(a_data)
+      CALL dbcsr_data_new(a_data, data_type)
+      CALL dbcsr_data_init(b_data)
+      CALL dbcsr_data_new(b_data, data_type)
+      CALL dbcsr_iterator_start(iter, matrix_a)
+      DO WHILE (dbcsr_iterator_blocks_left(iter))
+         SELECT CASE (dbcsr_get_data_type(matrix_a))
+            !CASE (dbcsr_type_real_4)
+         CASE (dbcsr_type_real_8)
+            CALL dbcsr_iterator_next_block(iter, row, col, a_data, tr_a, blk, &
+                                           row_size=row_size, col_size=col_size)
+            nze = row_size*col_size
+            CALL dbcsr_get_block_p(matrix_b, row, col, b_data, tr_b, found)
+            IF (tr_a .NEQV. tr_b) &
+               DBCSR_ABORT("tr not consistent, need to fix that")
+            IF (found) THEN
+               SELECT CASE (data_type)
+               CASE (dbcsr_type_real_4)
+                  c_data%d%r_sp(1:nze) = a_data%d%r_sp(1:nze)*b_data%d%r_sp(1:nze)
+                  CALL dbcsr_put_block(matrix_c, row, col, c_data%d%r_sp(1:nze), transposed=tr_a, &
+                                       summation=.FALSE.)
+               CASE (dbcsr_type_real_8)
+                  c_data%d%r_dp(1:nze) = a_data%d%r_dp(1:nze)*b_data%d%r_dp(1:nze)
+                  CALL dbcsr_put_block(matrix_c, row, col, c_data%d%r_dp(1:nze), transposed=tr_a, &
+                                       summation=.FALSE.)
+               CASE (dbcsr_type_complex_4)
+                  c_data%d%c_sp(1:nze) = a_data%d%c_sp(1:nze)*b_data%d%c_sp(1:nze)
+                  CALL dbcsr_put_block(matrix_c, row, col, c_data%d%c_sp(1:nze), transposed=tr_a, &
+                                       summation=.FALSE.)
+               CASE (dbcsr_type_complex_8)
+                  c_data%d%c_dp(1:nze) = a_data%d%c_dp(1:nze)*b_data%d%c_dp(1:nze)
+                  CALL dbcsr_put_block(matrix_c, row, col, c_data%d%c_dp(1:nze), transposed=tr_a, &
+                                       summation=.FALSE.)
+               END SELECT
+            ELSE
+               IF (assume_blocks_in_b) THEN ! this makes not too much sense, to delete ?
+                  SELECT CASE (data_type)
+                  CASE (dbcsr_type_real_4)
+                     c_data%d%r_sp(1:nze) = a_data%d%r_sp(1:nze)*REAL(assumed_b_value, KIND=sp)
+                     CALL dbcsr_put_block(matrix_c, row, col, c_data%d%r_sp(1:nze), transposed=tr_a, &
+                                          summation=.FALSE.)
+                  CASE (dbcsr_type_real_8)
+                     c_data%d%r_dp(1:nze) = a_data%d%r_dp(1:nze)*assumed_b_value
+                     CALL dbcsr_put_block(matrix_c, row, col, c_data%d%r_dp(1:nze), transposed=tr_a, &
+                                          summation=.FALSE.)
+                  CASE (dbcsr_type_complex_4)
+                     c_data%d%c_sp(1:nze) = a_data%d%c_sp(1:nze)*REAL(assumed_b_value, KIND=sp)
+                     CALL dbcsr_put_block(matrix_c, row, col, c_data%d%c_sp(1:nze), transposed=tr_a, &
+                                          summation=.FALSE.)
+                  CASE (dbcsr_type_complex_8)
+                     c_data%d%c_dp(1:nze) = a_data%d%c_dp(1:nze)*assumed_b_value
+                     CALL dbcsr_put_block(matrix_c, row, col, c_data%d%c_dp(1:nze), transposed=tr_a, &
+                                          summation=.FALSE.)
+                  END SELECT
+               END IF
+            END IF
+            !CASE (dbcsr_type_complex_4)
+            !CASE (dbcsr_type_complex_8)
+         CASE DEFAULT
+            DBCSR_ABORT("Only real double precision")
+         END SELECT
+      END DO
+      CALL dbcsr_iterator_stop(iter)
+      CALL dbcsr_finalize(matrix_c)
+      CALL dbcsr_data_clear_pointer(a_data)
+      CALL dbcsr_data_clear_pointer(b_data)
+      CALL dbcsr_data_release(c_data)
+      CALL dbcsr_data_release(a_data)
+      CALL dbcsr_data_release(b_data)
+      CALL timestop(handle)
    END SUBROUTINE dbcsr_hadamard_product
 
    
 
diff --git a/develop/proc/dbcsr_has_local_row_index.html b/develop/proc/dbcsr_has_local_row_index.html
index 2b25ee6299b..56bf4cd60fd 100644
--- a/develop/proc/dbcsr_has_local_row_index.html
+++ b/develop/proc/dbcsr_has_local_row_index.html
@@ -158,7 +158,7 @@ 
    Arguments
    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + logical

    diff --git a/develop/proc/dbcsr_has_same_block_structure.html b/develop/proc/dbcsr_has_same_block_structure.html index 2c7d831afec..6f2f795f5b0 100644 --- a/develop/proc/dbcsr_has_same_block_structure.html +++ b/develop/proc/dbcsr_has_same_block_structure.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_has_symmetry.html b/develop/proc/dbcsr_has_symmetry.html index 9fbe5add542..ea647bb19af 100644 --- a/develop/proc/dbcsr_has_symmetry.html +++ b/develop/proc/dbcsr_has_symmetry.html @@ -79,15 +79,15 @@

    dbcsr_has_symmetry
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public pure function dbcsr_has_symmetry(matrix) result(has_symmetry)

    -

    Whether matrix has symmetry

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -181,7 +180,7 @@

    Return Value logical

    -

    matrix has symmetry

    +
    @@ -197,14 +196,10 @@

    Return Value

    Source Code

       PURE FUNCTION dbcsr_has_symmetry(matrix) RESULT(has_symmetry)
-      !! Whether matrix has symmetry
-
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         !! query this matrix
       LOGICAL                                            :: has_symmetry
-         !! matrix has symmetry
 
-      has_symmetry = matrix%symmetry
+      has_symmetry = dbcsr_has_symmetry_prv(matrix%prv)
    END FUNCTION dbcsr_has_symmetry
    diff --git a/develop/proc/dbcsr_has_symmetry~2.html b/develop/proc/dbcsr_has_symmetry~2.html index faf6add159b..45374ea58ab 100644 --- a/develop/proc/dbcsr_has_symmetry~2.html +++ b/develop/proc/dbcsr_has_symmetry~2.html @@ -79,15 +79,15 @@

    dbcsr_has_symmetry
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public pure function dbcsr_has_symmetry(matrix) result(has_symmetry)

    +

    Whether matrix has symmetry

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -180,7 +181,7 @@

    Return Value logical

    - +

    matrix has symmetry


    @@ -196,10 +197,14 @@

    Return Value

    Source Code

       PURE FUNCTION dbcsr_has_symmetry(matrix) RESULT(has_symmetry)
+      !! Whether matrix has symmetry
+
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         !! query this matrix
       LOGICAL                                            :: has_symmetry
+         !! matrix has symmetry
 
-      has_symmetry = dbcsr_has_symmetry_prv(matrix%prv)
+      has_symmetry = matrix%symmetry
    END FUNCTION dbcsr_has_symmetry
    diff --git a/develop/proc/dbcsr_heap_fill.html b/develop/proc/dbcsr_heap_fill.html index 01e1a660466..4114ac24a76 100644 --- a/develop/proc/dbcsr_heap_fill.html +++ b/develop/proc/dbcsr_heap_fill.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_heap_get_first.html b/develop/proc/dbcsr_heap_get_first.html index 6e399c6ef11..8eec93afd0e 100644 --- a/develop/proc/dbcsr_heap_get_first.html +++ b/develop/proc/dbcsr_heap_get_first.html @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_heap_new.html b/develop/proc/dbcsr_heap_new.html index bb0142e2834..ada7ab99b2e 100644 --- a/develop/proc/dbcsr_heap_new.html +++ b/develop/proc/dbcsr_heap_new.html @@ -173,7 +173,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_heap_pop.html b/develop/proc/dbcsr_heap_pop.html index 8d7dda5d8db..80b96908856 100644 --- a/develop/proc/dbcsr_heap_pop.html +++ b/develop/proc/dbcsr_heap_pop.html @@ -175,7 +175,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    @@ -205,7 +205,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_heap_reset_first.html b/develop/proc/dbcsr_heap_reset_first.html index 48110e4b8ef..5fd425f9fb3 100644 --- a/develop/proc/dbcsr_heap_reset_first.html +++ b/develop/proc/dbcsr_heap_reset_first.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_heap_reset_node.html b/develop/proc/dbcsr_heap_reset_node.html index e068ff5abe5..299cc23e090 100644 --- a/develop/proc/dbcsr_heap_reset_node.html +++ b/develop/proc/dbcsr_heap_reset_node.html @@ -175,7 +175,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_ibcast_any.html b/develop/proc/dbcsr_ibcast_any.html index 1aab29b2bbe..18431f604f8 100644 --- a/develop/proc/dbcsr_ibcast_any.html +++ b/develop/proc/dbcsr_ibcast_any.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_image_dist_hold.html b/develop/proc/dbcsr_image_dist_hold.html index 62f3261050a..d12a285b878 100644 --- a/develop/proc/dbcsr_image_dist_hold.html +++ b/develop/proc/dbcsr_image_dist_hold.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_image_dist_init.html b/develop/proc/dbcsr_image_dist_init.html index 467cbbf0d52..12756cf4a3b 100644 --- a/develop/proc/dbcsr_image_dist_init.html +++ b/develop/proc/dbcsr_image_dist_init.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_image_dist_release.html b/develop/proc/dbcsr_image_dist_release.html index 0e4f0e40d75..9efea4581b3 100644 --- a/develop/proc/dbcsr_image_dist_release.html +++ b/develop/proc/dbcsr_image_dist_release.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_impose_sparsity.html b/develop/proc/dbcsr_impose_sparsity.html index a980f48b05f..aaedb81eb3b 100644 --- a/develop/proc/dbcsr_impose_sparsity.html +++ b/develop/proc/dbcsr_impose_sparsity.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_index_checksum.html b/develop/proc/dbcsr_index_checksum.html index 80ee43e065c..c11c6aefa28 100644 --- a/develop/proc/dbcsr_index_checksum.html +++ b/develop/proc/dbcsr_index_checksum.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_index_compact.html b/develop/proc/dbcsr_index_compact.html index b911072c455..69189033b60 100644 --- a/develop/proc/dbcsr_index_compact.html +++ b/develop/proc/dbcsr_index_compact.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_index_prune_deleted.html b/develop/proc/dbcsr_index_prune_deleted.html index 5d3c09885a3..d756fe24885 100644 --- a/develop/proc/dbcsr_index_prune_deleted.html +++ b/develop/proc/dbcsr_index_prune_deleted.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_init_lib_def.html b/develop/proc/dbcsr_init_lib_def.html index 88f1f75a76e..c3263458107 100644 --- a/develop/proc/dbcsr_init_lib_def.html +++ b/develop/proc/dbcsr_init_lib_def.html @@ -161,7 +161,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_init_lib_hooks.html b/develop/proc/dbcsr_init_lib_hooks.html index 16b06f77bff..682b4b70b6d 100644 --- a/develop/proc/dbcsr_init_lib_hooks.html +++ b/develop/proc/dbcsr_init_lib_hooks.html @@ -161,7 +161,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_init_lib_pre.html b/develop/proc/dbcsr_init_lib_pre.html index 29eab28484f..8678216b36c 100644 --- a/develop/proc/dbcsr_init_lib_pre.html +++ b/develop/proc/dbcsr_init_lib_pre.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_init_p.html b/develop/proc/dbcsr_init_p.html index f70cd4228de..355d4f13941 100644 --- a/develop/proc/dbcsr_init_p.html +++ b/develop/proc/dbcsr_init_p.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_init_random.html b/develop/proc/dbcsr_init_random.html index 0ff1409176a..4b02cb519fd 100644 --- a/develop/proc/dbcsr_init_random.html +++ b/develop/proc/dbcsr_init_random.html @@ -74,20 +74,20 @@

    dbcsr_init_random
  • 53 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public subroutine dbcsr_init_random(matrix, keep_sparsity, mini_seed)

    -

    ... TODO : unify with other version which is generic in the data_type

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -220,73 +219,11 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_init_random(matrix, keep_sparsity, mini_seed)
-      !! ... TODO : unify with other version which is generic in the data_type
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
       LOGICAL, OPTIONAL                                  :: keep_sparsity
       INTEGER, INTENT(IN), OPTIONAL                      :: mini_seed
 
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_init_random'
-
-      INTEGER                                            :: col, col_size, handle, hold, iseed(4), &
-                                                            mynode, ncol, nrow, row, row_size, &
-                                                            stored_col, stored_row, my_mini_seed
-      INTEGER, DIMENSION(:), POINTER                     :: col_blk_size, row_blk_size
-      LOGICAL                                            :: found, my_keep_sparsity, tr
-      REAL(real_8), ALLOCATABLE, DIMENSION(:)            :: rnd
-      REAL(real_8), DIMENSION(:, :), POINTER             :: buff, data_d
-
-!   ---------------------------------------------------------------------------
-
-      my_keep_sparsity = .FALSE.
-      IF (PRESENT(keep_sparsity)) my_keep_sparsity = keep_sparsity
-
-      my_mini_seed = 1
-      IF (PRESENT(mini_seed)) my_mini_seed = mini_seed
-
-      CALL timeset(routineN, handle)
-
-      row_blk_size => array_data(matrix%row_blk_size)
-      col_blk_size => array_data(matrix%col_blk_size)
-      mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
-      CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
-
-      ALLOCATE (rnd(MAXVAL(row_blk_size)*MAXVAL(col_blk_size)))
-      nrow = dbcsr_nblkrows_total(matrix)
-      ncol = dbcsr_nblkcols_total(matrix)
-      DO row = 1, nrow
-      DO col = 1, ncol
-         row_size = row_blk_size(row)
-         col_size = col_blk_size(col)
-         tr = .FALSE.
-         stored_row = row
-         stored_col = col
-         CALL dbcsr_get_stored_coordinates(matrix, stored_row, stored_col, hold)
-         IF (hold .EQ. mynode) THEN
-            CALL dbcsr_get_block_p(matrix, stored_row, stored_col, data_d, tr, found)
-            IF (found .OR. (.NOT. my_keep_sparsity)) THEN
-               ! set the seed for dlarnv, is here to guarantee same value of the random numbers
-               ! for all layouts (and block distributions)
-               CALL set_larnv_seed(row, nrow, col, ncol, my_mini_seed, iseed)
-               CALL dlarnv(1, iseed, row_size*col_size, rnd(1))
-            END IF
-            IF (found) THEN
-               CALL dcopy(row_size*col_size, rnd, 1, data_d, 1)
-            ELSE
-               IF (.NOT. my_keep_sparsity) THEN
-                  ALLOCATE (buff(row_size, col_size))
-                  CALL dcopy(row_size*col_size, rnd, 1, buff, 1)
-                  CALL dbcsr_put_block(matrix, stored_row, stored_col, buff)
-                  DEALLOCATE (buff)
-               END IF
-            END IF
-         END IF
-      END DO
-      END DO
-      DEALLOCATE (rnd)
-
-      CALL dbcsr_finalize(matrix)
-      CALL timestop(handle)
-
+      CALL dbcsr_init_random_prv(matrix%prv, keep_sparsity=keep_sparsity, mini_seed=mini_seed)
    END SUBROUTINE dbcsr_init_random
    diff --git a/develop/proc/dbcsr_init_random~2.html b/develop/proc/dbcsr_init_random~2.html index 8176891ff1f..fbd873b740c 100644 --- a/develop/proc/dbcsr_init_random~2.html +++ b/develop/proc/dbcsr_init_random~2.html @@ -74,20 +74,20 @@

    dbcsr_init_random
  • 6 statements + title=" 0.1% of total for procedures.">53 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public subroutine dbcsr_init_random(matrix, keep_sparsity, mini_seed)

    +

    ... TODO : unify with other version which is generic in the data_type

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -219,11 +220,73 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_init_random(matrix, keep_sparsity, mini_seed)
+      !! ... TODO : unify with other version which is generic in the data_type
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
       LOGICAL, OPTIONAL                                  :: keep_sparsity
       INTEGER, INTENT(IN), OPTIONAL                      :: mini_seed
 
-      CALL dbcsr_init_random_prv(matrix%prv, keep_sparsity=keep_sparsity, mini_seed=mini_seed)
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_init_random'
+
+      INTEGER                                            :: col, col_size, handle, hold, iseed(4), &
+                                                            mynode, ncol, nrow, row, row_size, &
+                                                            stored_col, stored_row, my_mini_seed
+      INTEGER, DIMENSION(:), POINTER                     :: col_blk_size, row_blk_size
+      LOGICAL                                            :: found, my_keep_sparsity, tr
+      REAL(real_8), ALLOCATABLE, DIMENSION(:)            :: rnd
+      REAL(real_8), DIMENSION(:, :), POINTER             :: buff, data_d
+
+!   ---------------------------------------------------------------------------
+
+      my_keep_sparsity = .FALSE.
+      IF (PRESENT(keep_sparsity)) my_keep_sparsity = keep_sparsity
+
+      my_mini_seed = 1
+      IF (PRESENT(mini_seed)) my_mini_seed = mini_seed
+
+      CALL timeset(routineN, handle)
+
+      row_blk_size => array_data(matrix%row_blk_size)
+      col_blk_size => array_data(matrix%col_blk_size)
+      mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
+      CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
+
+      ALLOCATE (rnd(MAXVAL(row_blk_size)*MAXVAL(col_blk_size)))
+      nrow = dbcsr_nblkrows_total(matrix)
+      ncol = dbcsr_nblkcols_total(matrix)
+      DO row = 1, nrow
+      DO col = 1, ncol
+         row_size = row_blk_size(row)
+         col_size = col_blk_size(col)
+         tr = .FALSE.
+         stored_row = row
+         stored_col = col
+         CALL dbcsr_get_stored_coordinates(matrix, stored_row, stored_col, hold)
+         IF (hold .EQ. mynode) THEN
+            CALL dbcsr_get_block_p(matrix, stored_row, stored_col, data_d, tr, found)
+            IF (found .OR. (.NOT. my_keep_sparsity)) THEN
+               ! set the seed for dlarnv, is here to guarantee same value of the random numbers
+               ! for all layouts (and block distributions)
+               CALL set_larnv_seed(row, nrow, col, ncol, my_mini_seed, iseed)
+               CALL dlarnv(1, iseed, row_size*col_size, rnd(1))
+            END IF
+            IF (found) THEN
+               CALL dcopy(row_size*col_size, rnd, 1, data_d, 1)
+            ELSE
+               IF (.NOT. my_keep_sparsity) THEN
+                  ALLOCATE (buff(row_size, col_size))
+                  CALL dcopy(row_size*col_size, rnd, 1, buff, 1)
+                  CALL dbcsr_put_block(matrix, stored_row, stored_col, buff)
+                  DEALLOCATE (buff)
+               END IF
+            END IF
+         END IF
+      END DO
+      END DO
+      DEALLOCATE (rnd)
+
+      CALL dbcsr_finalize(matrix)
+      CALL timestop(handle)
+
    END SUBROUTINE dbcsr_init_random
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    diff --git a/develop/proc/dbcsr_logger_get_default_unit_nr.html b/develop/proc/dbcsr_logger_get_default_unit_nr.html index f3d9b10cf27..27f040f1b88 100644 --- a/develop/proc/dbcsr_logger_get_default_unit_nr.html +++ b/develop/proc/dbcsr_logger_get_default_unit_nr.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -208,7 +208,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_logger_get_unit_nr.html b/develop/proc/dbcsr_logger_get_unit_nr.html index cebc1b6b13f..8e4628a69e0 100644 --- a/develop/proc/dbcsr_logger_get_unit_nr.html +++ b/develop/proc/dbcsr_logger_get_unit_nr.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_logger_release.html b/develop/proc/dbcsr_logger_release.html index 930fad9a2f9..cf9e040c386 100644 --- a/develop/proc/dbcsr_logger_release.html +++ b/develop/proc/dbcsr_logger_release.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_logger_retain.html b/develop/proc/dbcsr_logger_retain.html index 3816d40c0d1..5d3bdac46e9 100644 --- a/develop/proc/dbcsr_logger_retain.html +++ b/develop/proc/dbcsr_logger_retain.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_logger_set.html b/develop/proc/dbcsr_logger_set.html index 72121d60bc2..2bfc2d532b9 100644 --- a/develop/proc/dbcsr_logger_set.html +++ b/develop/proc/dbcsr_logger_set.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_logger_set_log_level.html b/develop/proc/dbcsr_logger_set_log_level.html index 20ae97b7e8c..df5a2728a04 100644 --- a/develop/proc/dbcsr_logger_set_log_level.html +++ b/develop/proc/dbcsr_logger_set_log_level.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_logger_would_log.html b/develop/proc/dbcsr_logger_would_log.html index 66f29493759..a6d9993fcd2 100644 --- a/develop/proc/dbcsr_logger_would_log.html +++ b/develop/proc/dbcsr_logger_would_log.html @@ -163,7 +163,7 @@

    Arguments

    @@ -196,7 +196,7 @@

    Arguments

    Return Value - + logical

    diff --git a/develop/proc/dbcsr_logical_to_string.html b/develop/proc/dbcsr_logical_to_string.html index d15be4c72a1..078ee6c9d4a 100644 --- a/develop/proc/dbcsr_logical_to_string.html +++ b/develop/proc/dbcsr_logical_to_string.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + character(len=1)

    diff --git a/develop/proc/dbcsr_make_1dist_dense.html b/develop/proc/dbcsr_make_1dist_dense.html index 3a496c6e160..284f82e19c7 100644 --- a/develop/proc/dbcsr_make_1dist_dense.html +++ b/develop/proc/dbcsr_make_1dist_dense.html @@ -159,7 +159,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_buffers.html b/develop/proc/dbcsr_make_buffers.html index 24c7c0a0997..ef456ee926e 100644 --- a/develop/proc/dbcsr_make_buffers.html +++ b/develop/proc/dbcsr_make_buffers.html @@ -159,7 +159,7 @@

    Arguments

    @@ -279,7 +279,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_dbcsr_index.html b/develop/proc/dbcsr_make_dbcsr_index.html index 142528c2266..7266de1de39 100644 --- a/develop/proc/dbcsr_make_dbcsr_index.html +++ b/develop/proc/dbcsr_make_dbcsr_index.html @@ -159,7 +159,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_dense.html b/develop/proc/dbcsr_make_dense.html index a62d5152193..5dd5ff8b365 100644 --- a/develop/proc/dbcsr_make_dense.html +++ b/develop/proc/dbcsr_make_dense.html @@ -163,7 +163,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -238,7 +238,7 @@

    Arguments

    @@ -253,7 +253,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_dense_low.html b/develop/proc/dbcsr_make_dense_low.html index c847ed287ac..bb5307fb535 100644 --- a/develop/proc/dbcsr_make_dense_low.html +++ b/develop/proc/dbcsr_make_dense_low.html @@ -241,7 +241,7 @@

    Arguments

    @@ -265,7 +265,7 @@

    Arguments

    @@ -385,7 +385,7 @@

    Arguments

    @@ -409,7 +409,7 @@

    Arguments

    @@ -433,7 +433,7 @@

    Arguments

    @@ -449,7 +449,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_images.html b/develop/proc/dbcsr_make_images.html index e16c4a96bdd..5eb7d0652eb 100644 --- a/develop/proc/dbcsr_make_images.html +++ b/develop/proc/dbcsr_make_images.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_images_dense.html b/develop/proc/dbcsr_make_images_dense.html index 58f03aaebfe..f21740ab071 100644 --- a/develop/proc/dbcsr_make_images_dense.html +++ b/develop/proc/dbcsr_make_images_dense.html @@ -163,7 +163,7 @@

    Arguments

    @@ -193,7 +193,7 @@

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    @@ -209,7 +209,7 @@

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    @@ -225,7 +225,7 @@

    Arguments

    @@ -241,7 +241,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_index_canonical.html b/develop/proc/dbcsr_make_index_canonical.html index 6c16fc1ece0..69ef53a5cf4 100644 --- a/develop/proc/dbcsr_make_index_canonical.html +++ b/develop/proc/dbcsr_make_index_canonical.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_index_exist.html b/develop/proc/dbcsr_make_index_exist.html index 69d34287798..37d7e419890 100644 --- a/develop/proc/dbcsr_make_index_exist.html +++ b/develop/proc/dbcsr_make_index_exist.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_index_list.html b/develop/proc/dbcsr_make_index_list.html index 7e9ae87efe5..78d8840245a 100644 --- a/develop/proc/dbcsr_make_index_list.html +++ b/develop/proc/dbcsr_make_index_list.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_index_local_row.html b/develop/proc/dbcsr_make_index_local_row.html index f427956bd5d..4614ea9be53 100644 --- a/develop/proc/dbcsr_make_index_local_row.html +++ b/develop/proc/dbcsr_make_index_local_row.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_null_dist.html b/develop/proc/dbcsr_make_null_dist.html index d6ca4e93d98..a3e474c0617 100644 --- a/develop/proc/dbcsr_make_null_dist.html +++ b/develop/proc/dbcsr_make_null_dist.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_null_mp.html b/develop/proc/dbcsr_make_null_mp.html index e157b9734c3..c897a5a63d6 100644 --- a/develop/proc/dbcsr_make_null_mp.html +++ b/develop/proc/dbcsr_make_null_mp.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_random_block_sizes.html b/develop/proc/dbcsr_make_random_block_sizes.html index 38d64f3d11b..83471f21c82 100644 --- a/develop/proc/dbcsr_make_random_block_sizes.html +++ b/develop/proc/dbcsr_make_random_block_sizes.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_random_matrix.html b/develop/proc/dbcsr_make_random_matrix.html index df388dd96e5..128697192f2 100644 --- a/develop/proc/dbcsr_make_random_matrix.html +++ b/develop/proc/dbcsr_make_random_matrix.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

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    @@ -249,7 +249,7 @@

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    @@ -279,7 +279,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_undense.html b/develop/proc/dbcsr_make_undense.html index 2f3b3b2d049..865ad155146 100644 --- a/develop/proc/dbcsr_make_undense.html +++ b/develop/proc/dbcsr_make_undense.html @@ -163,7 +163,7 @@

    Arguments

    @@ -193,7 +193,7 @@

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    @@ -288,7 +288,7 @@

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    @@ -308,7 +308,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_make_untransposed_blocks.html b/develop/proc/dbcsr_make_untransposed_blocks.html index d09d3d9a19a..7573fba4c2b 100644 --- a/develop/proc/dbcsr_make_untransposed_blocks.html +++ b/develop/proc/dbcsr_make_untransposed_blocks.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_max_col_size.html b/develop/proc/dbcsr_max_col_size.html index 4c383af9763..a501413c0a0 100644 --- a/develop/proc/dbcsr_max_col_size.html +++ b/develop/proc/dbcsr_max_col_size.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_max_row_size.html b/develop/proc/dbcsr_max_row_size.html index c3f34895ce7..8f3dbb0e75e 100644 --- a/develop/proc/dbcsr_max_row_size.html +++ b/develop/proc/dbcsr_max_row_size.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_maxabs.html b/develop/proc/dbcsr_maxabs.html index 9607e354faa..9b509d44245 100644 --- a/develop/proc/dbcsr_maxabs.html +++ b/develop/proc/dbcsr_maxabs.html @@ -74,20 +74,20 @@

    dbcsr_maxabs
  • 33 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public function dbcsr_maxabs(matrix) result(norm)

    -

    compute a norm of a dbcsr matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -177,7 +176,7 @@

    Arguments

    Return Value - + real(kind=real_8)

    @@ -197,46 +196,10 @@

    Return Value

    Source Code

       FUNCTION dbcsr_maxabs(matrix) RESULT(norm)
-      !! compute a norm of a dbcsr matrix
-
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         !! the matrix
-      REAL(real_8)                                       :: norm
-
-      COMPLEX(KIND=real_4), DIMENSION(:, :), POINTER     :: data_c
-      COMPLEX(KIND=real_8), DIMENSION(:, :), POINTER     :: data_z
-      INTEGER                                            :: blk, col, row
-      LOGICAL                                            :: tr
-      REAL(KIND=real_4), DIMENSION(:, :), POINTER        :: data_r
-      REAL(KIND=real_8), DIMENSION(:, :), POINTER        :: data_d
-      TYPE(dbcsr_iterator)                               :: iter
-
-!   ---------------------------------------------------------------------------
-
-      norm = 0.0_dp
-      CALL dbcsr_iterator_start(iter, matrix)
-      DO WHILE (dbcsr_iterator_blocks_left(iter))
-         SELECT CASE (dbcsr_get_data_type(matrix))
-         CASE (dbcsr_type_real_4)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_r, tr, blk)
-            norm = MAX(norm, REAL(MAXVAL(ABS(data_r)), dp))
-         CASE (dbcsr_type_real_8)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_d, tr, blk)
-            norm = MAX(norm, MAXVAL(ABS(data_d)))
-         CASE (dbcsr_type_complex_4)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_c, tr, blk)
-            norm = MAX(norm, REAL(MAXVAL(ABS(data_c)), dp))
-         CASE (dbcsr_type_complex_8)
-            CALL dbcsr_iterator_next_block(iter, row, col, data_z, tr, blk)
-            norm = MAX(norm, MAXVAL(ABS(data_z)))
-         CASE DEFAULT
-            DBCSR_ABORT("Wrong data type")
-         END SELECT
-      END DO
-      CALL dbcsr_iterator_stop(iter)
-
-      CALL mp_max(norm, dbcsr_mp_group(dbcsr_distribution_mp(matrix%dist)))
+      REAL(KIND=real_8)                                  :: norm
 
+      norm = dbcsr_maxabs_prv(matrix%prv)
    END FUNCTION dbcsr_maxabs
    diff --git a/develop/proc/dbcsr_maxabs~2.html b/develop/proc/dbcsr_maxabs~2.html index d8fefa571fc..75bb0b8bcfb 100644 --- a/develop/proc/dbcsr_maxabs~2.html +++ b/develop/proc/dbcsr_maxabs~2.html @@ -74,20 +74,20 @@

    dbcsr_maxabs
  • 5 statements + title=" 0.1% of total for procedures.">33 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public function dbcsr_maxabs(matrix) result(norm)

    +

    compute a norm of a dbcsr matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -176,7 +177,7 @@

    Arguments

    Return Value - + real(kind=real_8)

    @@ -196,10 +197,46 @@

    Return Value

    Source Code

       FUNCTION dbcsr_maxabs(matrix) RESULT(norm)
+      !! compute a norm of a dbcsr matrix
+
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-      REAL(KIND=real_8)                                  :: norm
+         !! the matrix
+      REAL(real_8)                                       :: norm
+
+      COMPLEX(KIND=real_4), DIMENSION(:, :), POINTER     :: data_c
+      COMPLEX(KIND=real_8), DIMENSION(:, :), POINTER     :: data_z
+      INTEGER                                            :: blk, col, row
+      LOGICAL                                            :: tr
+      REAL(KIND=real_4), DIMENSION(:, :), POINTER        :: data_r
+      REAL(KIND=real_8), DIMENSION(:, :), POINTER        :: data_d
+      TYPE(dbcsr_iterator)                               :: iter
+
+!   ---------------------------------------------------------------------------
+
+      norm = 0.0_dp
+      CALL dbcsr_iterator_start(iter, matrix)
+      DO WHILE (dbcsr_iterator_blocks_left(iter))
+         SELECT CASE (dbcsr_get_data_type(matrix))
+         CASE (dbcsr_type_real_4)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_r, tr, blk)
+            norm = MAX(norm, REAL(MAXVAL(ABS(data_r)), dp))
+         CASE (dbcsr_type_real_8)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_d, tr, blk)
+            norm = MAX(norm, MAXVAL(ABS(data_d)))
+         CASE (dbcsr_type_complex_4)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_c, tr, blk)
+            norm = MAX(norm, REAL(MAXVAL(ABS(data_c)), dp))
+         CASE (dbcsr_type_complex_8)
+            CALL dbcsr_iterator_next_block(iter, row, col, data_z, tr, blk)
+            norm = MAX(norm, MAXVAL(ABS(data_z)))
+         CASE DEFAULT
+            DBCSR_ABORT("Wrong data type")
+         END SELECT
+      END DO
+      CALL dbcsr_iterator_stop(iter)
+
+      CALL mp_max(norm, dbcsr_mp_group(dbcsr_distribution_mp(matrix%dist)))
 
-      norm = dbcsr_maxabs_prv(matrix%prv)
    END FUNCTION dbcsr_maxabs
    diff --git a/develop/proc/dbcsr_may_be_dense.html b/develop/proc/dbcsr_may_be_dense.html index f2563e69b93..13fe26caeac 100644 --- a/develop/proc/dbcsr_may_be_dense.html +++ b/develop/proc/dbcsr_may_be_dense.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mempool_add.html b/develop/proc/dbcsr_mempool_add.html index 9db470b7998..f697b2afa95 100644 --- a/develop/proc/dbcsr_mempool_add.html +++ b/develop/proc/dbcsr_mempool_add.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mempool_clear.html b/develop/proc/dbcsr_mempool_clear.html index 26f41c7a7a6..67a08b623ee 100644 --- a/develop/proc/dbcsr_mempool_clear.html +++ b/develop/proc/dbcsr_mempool_clear.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mempool_create.html b/develop/proc/dbcsr_mempool_create.html index 55df4c84b2b..0d81af04825 100644 --- a/develop/proc/dbcsr_mempool_create.html +++ b/develop/proc/dbcsr_mempool_create.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mempool_destruct.html b/develop/proc/dbcsr_mempool_destruct.html index a61400d417f..363e322c2eb 100644 --- a/develop/proc/dbcsr_mempool_destruct.html +++ b/develop/proc/dbcsr_mempool_destruct.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mempool_get.html b/develop/proc/dbcsr_mempool_get.html index 17afddd39a5..1a6545c02fb 100644 --- a/develop/proc/dbcsr_mempool_get.html +++ b/develop/proc/dbcsr_mempool_get.html @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -207,7 +207,7 @@

    Arguments

    Return Value - + type(dbcsr_data_obj)

    diff --git a/develop/proc/dbcsr_mempool_limit_capacity.html b/develop/proc/dbcsr_mempool_limit_capacity.html index 633a88b9b33..fd39539d2b0 100644 --- a/develop/proc/dbcsr_mempool_limit_capacity.html +++ b/develop/proc/dbcsr_mempool_limit_capacity.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_memtype_equal.html b/develop/proc/dbcsr_memtype_equal.html index 695f784c382..5206bab968c 100644 --- a/develop/proc/dbcsr_memtype_equal.html +++ b/develop/proc/dbcsr_memtype_equal.html @@ -192,7 +192,7 @@

    Arguments

    Return Value - + logical

    diff --git a/develop/proc/dbcsr_memtype_setup.html b/develop/proc/dbcsr_memtype_setup.html index e32e5c79c70..c600af2dd11 100644 --- a/develop/proc/dbcsr_memtype_setup.html +++ b/develop/proc/dbcsr_memtype_setup.html @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_merge_all.html b/develop/proc/dbcsr_merge_all.html index a6f5af11565..083bc02b1ed 100644 --- a/develop/proc/dbcsr_merge_all.html +++ b/develop/proc/dbcsr_merge_all.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_merge_single_wm.html b/develop/proc/dbcsr_merge_single_wm.html index b4a8c0c1ebe..e38d6b69d58 100644 --- a/develop/proc/dbcsr_merge_single_wm.html +++ b/develop/proc/dbcsr_merge_single_wm.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_accdrv_dev2host_init.html b/develop/proc/dbcsr_mm_accdrv_dev2host_init.html index 3ade8294a75..7648ee07a74 100644 --- a/develop/proc/dbcsr_mm_accdrv_dev2host_init.html +++ b/develop/proc/dbcsr_mm_accdrv_dev2host_init.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_accdrv_finalize.html b/develop/proc/dbcsr_mm_accdrv_finalize.html index c4a4a140d93..296993dca45 100644 --- a/develop/proc/dbcsr_mm_accdrv_finalize.html +++ b/develop/proc/dbcsr_mm_accdrv_finalize.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_accdrv_init.html b/develop/proc/dbcsr_mm_accdrv_init.html index 9cdd85dc09a..573c8312dca 100644 --- a/develop/proc/dbcsr_mm_accdrv_init.html +++ b/develop/proc/dbcsr_mm_accdrv_init.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_accdrv_process.html b/develop/proc/dbcsr_mm_accdrv_process.html index c5a490e8daa..f7029f9b90a 100644 --- a/develop/proc/dbcsr_mm_accdrv_process.html +++ b/develop/proc/dbcsr_mm_accdrv_process.html @@ -74,7 +74,7 @@

    dbcsr_mm_accdrv_process
  • 59 statements + title=" 0.1% of total for procedures.">62 statements
  • @@ -159,7 +159,7 @@

    Arguments

    • @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -249,7 +249,7 @@

    Arguments

    @@ -264,7 +264,7 @@

    Arguments

    @@ -395,6 +395,9 @@

    Source Code

    IF (success) THEN CALL acc_event_record(stackbuf%calculated, stream=stackbuf%stream) ELSE + IF (dbcsr_cfg%use_acc_g2g%val) THEN + DBCSR_ABORT("MPI G2G requires all kernels to be evaluated on the GPU!") + END IF this%do_gpu_c_redux = .TRUE. END IF diff --git a/develop/proc/dbcsr_mm_csr_dev2host_init.html b/develop/proc/dbcsr_mm_csr_dev2host_init.html index a12c14cc182..a3c513bb65d 100644 --- a/develop/proc/dbcsr_mm_csr_dev2host_init.html +++ b/develop/proc/dbcsr_mm_csr_dev2host_init.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_csr_finalize.html b/develop/proc/dbcsr_mm_csr_finalize.html index 78f8a060c57..3c99a2cec84 100644 --- a/develop/proc/dbcsr_mm_csr_finalize.html +++ b/develop/proc/dbcsr_mm_csr_finalize.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_csr_init.html b/develop/proc/dbcsr_mm_csr_init.html index e8a03e48ebb..006cf3de0d7 100644 --- a/develop/proc/dbcsr_mm_csr_init.html +++ b/develop/proc/dbcsr_mm_csr_init.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr_mm_csr_multiply.html b/develop/proc/dbcsr_mm_csr_multiply.html index a2355b4c4ad..5229ca45d4a 100644 --- a/develop/proc/dbcsr_mm_csr_multiply.html +++ b/develop/proc/dbcsr_mm_csr_multiply.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr_mm_csr_multiply_low.html b/develop/proc/dbcsr_mm_csr_multiply_low.html index 322403b115e..0f29fef8a45 100644 --- a/develop/proc/dbcsr_mm_csr_multiply_low.html +++ b/develop/proc/dbcsr_mm_csr_multiply_low.html @@ -159,7 +159,7 @@

    Arguments

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    Arguments

    diff --git a/develop/proc/dbcsr_mm_csr_purge_stacks.html b/develop/proc/dbcsr_mm_csr_purge_stacks.html index bc27f21ba88..93bcc98f572 100644 --- a/develop/proc/dbcsr_mm_csr_purge_stacks.html +++ b/develop/proc/dbcsr_mm_csr_purge_stacks.html @@ -158,7 +158,7 @@

    Arguments

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    Arguments

    diff --git a/develop/proc/dbcsr_mm_csr_red3d.html b/develop/proc/dbcsr_mm_csr_red3d.html index 7a742bcbc13..efdf6324e65 100644 --- a/develop/proc/dbcsr_mm_csr_red3d.html +++ b/develop/proc/dbcsr_mm_csr_red3d.html @@ -159,7 +159,7 @@

    Arguments

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    Arguments

    diff --git a/develop/proc/dbcsr_mm_hostdrv_init.html b/develop/proc/dbcsr_mm_hostdrv_init.html index bed63381901..45565ceaae4 100644 --- a/develop/proc/dbcsr_mm_hostdrv_init.html +++ b/develop/proc/dbcsr_mm_hostdrv_init.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_hostdrv_process.html b/develop/proc/dbcsr_mm_hostdrv_process.html index 2548c392945..c8d0ccc1d9b 100644 --- a/develop/proc/dbcsr_mm_hostdrv_process.html +++ b/develop/proc/dbcsr_mm_hostdrv_process.html @@ -159,7 +159,7 @@

    Arguments

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    Arguments

    diff --git a/develop/proc/dbcsr_mm_multrec_dev2host_init.html b/develop/proc/dbcsr_mm_multrec_dev2host_init.html index ff6e9f825bd..84735ad7dd1 100644 --- a/develop/proc/dbcsr_mm_multrec_dev2host_init.html +++ b/develop/proc/dbcsr_mm_multrec_dev2host_init.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_multrec_finalize.html b/develop/proc/dbcsr_mm_multrec_finalize.html index 25111fdcd8e..6fc754b930f 100644 --- a/develop/proc/dbcsr_mm_multrec_finalize.html +++ b/develop/proc/dbcsr_mm_multrec_finalize.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_multrec_get_nblks.html b/develop/proc/dbcsr_mm_multrec_get_nblks.html index 975ec9de250..a15a17e6fc0 100644 --- a/develop/proc/dbcsr_mm_multrec_get_nblks.html +++ b/develop/proc/dbcsr_mm_multrec_get_nblks.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_mm_multrec_get_nze.html b/develop/proc/dbcsr_mm_multrec_get_nze.html index e284536d0ee..dc2fb6a5e68 100644 --- a/develop/proc/dbcsr_mm_multrec_get_nze.html +++ b/develop/proc/dbcsr_mm_multrec_get_nze.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_mm_multrec_init.html b/develop/proc/dbcsr_mm_multrec_init.html index 3da2ca2b890..87b2dc472c5 100644 --- a/develop/proc/dbcsr_mm_multrec_init.html +++ b/develop/proc/dbcsr_mm_multrec_init.html @@ -159,7 +159,7 @@

    Arguments

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    Arguments

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    Arguments

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    Arguments

    diff --git a/develop/proc/dbcsr_mm_multrec_multiply.html b/develop/proc/dbcsr_mm_multrec_multiply.html index aa207059ab5..f3c75171b31 100644 --- a/develop/proc/dbcsr_mm_multrec_multiply.html +++ b/develop/proc/dbcsr_mm_multrec_multiply.html @@ -163,7 +163,7 @@

    Arguments

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    Arguments

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    Arguments

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    Arguments

    diff --git a/develop/proc/dbcsr_mm_multrec_red3d.html b/develop/proc/dbcsr_mm_multrec_red3d.html index 74f55df21d6..0e9ba56cee7 100644 --- a/develop/proc/dbcsr_mm_multrec_red3d.html +++ b/develop/proc/dbcsr_mm_multrec_red3d.html @@ -159,7 +159,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_sched_begin_burst.html b/develop/proc/dbcsr_mm_sched_begin_burst.html index 7638d9bcc17..338aa0097e8 100644 --- a/develop/proc/dbcsr_mm_sched_begin_burst.html +++ b/develop/proc/dbcsr_mm_sched_begin_burst.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_sched_dev2host_init.html b/develop/proc/dbcsr_mm_sched_dev2host_init.html index bd696b0b559..a593e9a6364 100644 --- a/develop/proc/dbcsr_mm_sched_dev2host_init.html +++ b/develop/proc/dbcsr_mm_sched_dev2host_init.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_sched_finalize.html b/develop/proc/dbcsr_mm_sched_finalize.html index 99528926044..631e3b130fd 100644 --- a/develop/proc/dbcsr_mm_sched_finalize.html +++ b/develop/proc/dbcsr_mm_sched_finalize.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_sched_init.html b/develop/proc/dbcsr_mm_sched_init.html index b25d8189072..fe81348699e 100644 --- a/develop/proc/dbcsr_mm_sched_init.html +++ b/develop/proc/dbcsr_mm_sched_init.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

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    Arguments

    diff --git a/develop/proc/dbcsr_mm_sched_print_statistics.html b/develop/proc/dbcsr_mm_sched_print_statistics.html index 2b479d10bbd..319077ac748 100644 --- a/develop/proc/dbcsr_mm_sched_print_statistics.html +++ b/develop/proc/dbcsr_mm_sched_print_statistics.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_sched_process.html b/develop/proc/dbcsr_mm_sched_process.html index 5ff1d03667f..bcb2943a56e 100644 --- a/develop/proc/dbcsr_mm_sched_process.html +++ b/develop/proc/dbcsr_mm_sched_process.html @@ -161,7 +161,7 @@

    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

    @@ -236,7 +236,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mm_sched_set_orig_datasize.html b/develop/proc/dbcsr_mm_sched_set_orig_datasize.html index 6a5e40762b8..2a2694e53cc 100644 --- a/develop/proc/dbcsr_mm_sched_set_orig_datasize.html +++ b/develop/proc/dbcsr_mm_sched_set_orig_datasize.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_active.html b/develop/proc/dbcsr_mp_active.html index 4146acf8991..a1cf229e899 100644 --- a/develop/proc/dbcsr_mp_active.html +++ b/develop/proc/dbcsr_mp_active.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_environ.html b/develop/proc/dbcsr_mp_environ.html index 849d69b7fd3..37385d73301 100644 --- a/develop/proc/dbcsr_mp_environ.html +++ b/develop/proc/dbcsr_mp_environ.html @@ -153,7 +153,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_get_process.html b/develop/proc/dbcsr_mp_get_process.html index 705819cbdd3..265a83b36dc 100644 --- a/develop/proc/dbcsr_mp_get_process.html +++ b/develop/proc/dbcsr_mp_get_process.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_grid_remove.html b/develop/proc/dbcsr_mp_grid_remove.html index c3036970b91..d8fb7b3ba96 100644 --- a/develop/proc/dbcsr_mp_grid_remove.html +++ b/develop/proc/dbcsr_mp_grid_remove.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_grid_setup.html b/develop/proc/dbcsr_mp_grid_setup.html index b386b633813..b8bda38556f 100644 --- a/develop/proc/dbcsr_mp_grid_setup.html +++ b/develop/proc/dbcsr_mp_grid_setup.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_grid_setup~2.html b/develop/proc/dbcsr_mp_grid_setup~2.html index 2cc4b93c024..dfbb28f98b2 100644 --- a/develop/proc/dbcsr_mp_grid_setup~2.html +++ b/develop/proc/dbcsr_mp_grid_setup~2.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_group.html b/develop/proc/dbcsr_mp_group.html index a6e2aa35b1b..876c7057700 100644 --- a/develop/proc/dbcsr_mp_group.html +++ b/develop/proc/dbcsr_mp_group.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_has_subgroups.html b/develop/proc/dbcsr_mp_has_subgroups.html index e3972fd8238..6bfaf9d81fc 100644 --- a/develop/proc/dbcsr_mp_has_subgroups.html +++ b/develop/proc/dbcsr_mp_has_subgroups.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_hold.html b/develop/proc/dbcsr_mp_hold.html index ed9e5cbc4ee..c748d2dcffb 100644 --- a/develop/proc/dbcsr_mp_hold.html +++ b/develop/proc/dbcsr_mp_hold.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_init.html b/develop/proc/dbcsr_mp_init.html index 6a8bad10745..962334018b1 100644 --- a/develop/proc/dbcsr_mp_init.html +++ b/develop/proc/dbcsr_mp_init.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_make_env.html b/develop/proc/dbcsr_mp_make_env.html index 78e6f096a92..f7a9223774e 100644 --- a/develop/proc/dbcsr_mp_make_env.html +++ b/develop/proc/dbcsr_mp_make_env.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_my_col_group.html b/develop/proc/dbcsr_mp_my_col_group.html index 994bc8ca1f8..67e05a96a8e 100644 --- a/develop/proc/dbcsr_mp_my_col_group.html +++ b/develop/proc/dbcsr_mp_my_col_group.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_my_row_group.html b/develop/proc/dbcsr_mp_my_row_group.html index 81c4c736005..d0073c92770 100644 --- a/develop/proc/dbcsr_mp_my_row_group.html +++ b/develop/proc/dbcsr_mp_my_row_group.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_mynode.html b/develop/proc/dbcsr_mp_mynode.html index 9739a0d5054..d99c90a9e34 100644 --- a/develop/proc/dbcsr_mp_mynode.html +++ b/develop/proc/dbcsr_mp_mynode.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_mp_mypcol.html b/develop/proc/dbcsr_mp_mypcol.html index 37b92404e8c..6b59a361071 100644 --- a/develop/proc/dbcsr_mp_mypcol.html +++ b/develop/proc/dbcsr_mp_mypcol.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_mp_myprow.html b/develop/proc/dbcsr_mp_myprow.html index e283020fa85..061a74b3ccd 100644 --- a/develop/proc/dbcsr_mp_myprow.html +++ b/develop/proc/dbcsr_mp_myprow.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_mp_new_grid.html b/develop/proc/dbcsr_mp_new_grid.html index de3f31509a8..44253c478f1 100644 --- a/develop/proc/dbcsr_mp_new_grid.html +++ b/develop/proc/dbcsr_mp_new_grid.html @@ -159,7 +159,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -249,7 +249,7 @@

    Arguments

    @@ -264,7 +264,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_new_group.html b/develop/proc/dbcsr_mp_new_group.html index 4a37c314f85..a43092887a0 100644 --- a/develop/proc/dbcsr_mp_new_group.html +++ b/develop/proc/dbcsr_mp_new_group.html @@ -159,7 +159,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_new_transposed.html b/develop/proc/dbcsr_mp_new_transposed.html index 573add6a732..b81b7e565f9 100644 --- a/develop/proc/dbcsr_mp_new_transposed.html +++ b/develop/proc/dbcsr_mp_new_transposed.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_npcols.html b/develop/proc/dbcsr_mp_npcols.html index bccdf896846..f63e934441d 100644 --- a/develop/proc/dbcsr_mp_npcols.html +++ b/develop/proc/dbcsr_mp_npcols.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_mp_nprows.html b/develop/proc/dbcsr_mp_nprows.html index cdf61945bff..d343141904a 100644 --- a/develop/proc/dbcsr_mp_nprows.html +++ b/develop/proc/dbcsr_mp_nprows.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_mp_numnodes.html b/develop/proc/dbcsr_mp_numnodes.html index 6906da56b56..4f5404d598c 100644 --- a/develop/proc/dbcsr_mp_numnodes.html +++ b/develop/proc/dbcsr_mp_numnodes.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_mp_pgrid.html b/develop/proc/dbcsr_mp_pgrid.html index 153e903bf0b..a5f56aa582a 100644 --- a/develop/proc/dbcsr_mp_pgrid.html +++ b/develop/proc/dbcsr_mp_pgrid.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer, DIMENSION(:, :), POINTER, CONTIGUOUS

    diff --git a/develop/proc/dbcsr_mp_release.html b/develop/proc/dbcsr_mp_release.html index c2bcc50ef92..37c042f09d9 100644 --- a/develop/proc/dbcsr_mp_release.html +++ b/develop/proc/dbcsr_mp_release.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mp_type_from_anytype.html b/develop/proc/dbcsr_mp_type_from_anytype.html index 0cbb2dda890..6be68867cdf 100644 --- a/develop/proc/dbcsr_mp_type_from_anytype.html +++ b/develop/proc/dbcsr_mp_type_from_anytype.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_multiply_c.html b/develop/proc/dbcsr_multiply_c.html index 3496cc3802a..7c8eb65131c 100644 --- a/develop/proc/dbcsr_multiply_c.html +++ b/develop/proc/dbcsr_multiply_c.html @@ -79,15 +79,15 @@

    dbcsr_multiply_c
  • - Source File + Source File
    • @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,8 +203,8 @@

    Arguments

    @@ -248,8 +248,8 @@

    Arguments

    @@ -293,7 +293,7 @@

    Arguments

    @@ -323,7 +323,7 @@

    Arguments

    @@ -338,7 +338,7 @@

    Arguments

    @@ -353,7 +353,7 @@

    Arguments

    @@ -368,7 +368,7 @@

    Arguments

    @@ -383,7 +383,7 @@

    Arguments

    @@ -413,29 +413,29 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_multiply_c(transa, transb, &
-                               alpha, matrix_a, matrix_b, beta, matrix_c, &
-                               first_row, last_row, first_column, last_column, first_k, last_k, &
-                               retain_sparsity, filter_eps, &
-                               flop)
-      CHARACTER(LEN=1), INTENT(IN)                       :: transa, transb
-      COMPLEX(KIND=real_4), INTENT(IN)                   :: alpha
-      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a, matrix_b
-      COMPLEX(KIND=real_4), INTENT(IN)                   :: beta
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_c
-      INTEGER, INTENT(IN), OPTIONAL                      :: first_row, last_row, first_column, &
-                                                            last_column, first_k, last_k
-      LOGICAL, INTENT(IN), OPTIONAL                      :: retain_sparsity
-      REAL(KIND=real_8), INTENT(IN), OPTIONAL            :: filter_eps
-      INTEGER(KIND=int_8), INTENT(OUT), OPTIONAL         :: flop
+    
          SUBROUTINE dbcsr_multiply_c (transa, transb, &
+                                               alpha, matrix_a, matrix_b, beta, matrix_c, &
+                                               first_row, last_row, first_column, last_column, first_k, last_k, &
+                                               retain_sparsity, filter_eps, flop)
+         CHARACTER(LEN=1), INTENT(IN)             :: transa, transb
+         COMPLEX(kind=real_4), INTENT(IN)                      :: alpha
+         TYPE(dbcsr_type), INTENT(IN)             :: matrix_a, matrix_b
+         COMPLEX(kind=real_4), INTENT(IN)                      :: beta
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_c
+         INTEGER, INTENT(IN), OPTIONAL            :: first_row, last_row, &
+                                                     first_column, last_column, &
+                                                     first_k, last_k
+         LOGICAL, INTENT(IN), OPTIONAL            :: retain_sparsity
+         REAL(kind=real_8), INTENT(IN), OPTIONAL :: filter_eps
+         INTEGER(int_8), INTENT(OUT), OPTIONAL    :: flop
 
-      CALL dbcsr_multiply_generic(transa, transb, &
-                                  dbcsr_scalar(alpha), matrix_a, matrix_b, dbcsr_scalar(beta), matrix_c, &
-                                  first_row, last_row, first_column, last_column, first_k, last_k, &
-                                  retain_sparsity, &
-                                  filter_eps=filter_eps, &
-                                  flop=flop)
-   END SUBROUTINE dbcsr_multiply_c
+         CALL dbcsr_multiply_prv(transa, transb, &
+                                 alpha, matrix_a%prv, matrix_b%prv, beta, matrix_c%prv, &
+                                 first_row, last_row, first_column, last_column, first_k, last_k, &
+                                 retain_sparsity, &
+                                 filter_eps=filter_eps, &
+                                 flop=flop)
+      END SUBROUTINE dbcsr_multiply_c
    diff --git a/develop/proc/dbcsr_multiply_c~2.html b/develop/proc/dbcsr_multiply_c~2.html index 80f1113c2bf..90a668e41da 100644 --- a/develop/proc/dbcsr_multiply_c~2.html +++ b/develop/proc/dbcsr_multiply_c~2.html @@ -79,15 +79,15 @@

    dbcsr_multiply_c
  • - Source File + Source File
    • @@ -158,7 +158,7 @@

    Arguments

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    - 
          SUBROUTINE dbcsr_multiply_c (transa, transb, &
-                                               alpha, matrix_a, matrix_b, beta, matrix_c, &
-                                               first_row, last_row, first_column, last_column, first_k, last_k, &
-                                               retain_sparsity, filter_eps, flop)
-         CHARACTER(LEN=1), INTENT(IN)             :: transa, transb
-         COMPLEX(kind=real_4), INTENT(IN)                      :: alpha
-         TYPE(dbcsr_type), INTENT(IN)             :: matrix_a, matrix_b
-         COMPLEX(kind=real_4), INTENT(IN)                      :: beta
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_c
-         INTEGER, INTENT(IN), OPTIONAL            :: first_row, last_row, &
-                                                     first_column, last_column, &
-                                                     first_k, last_k
-         LOGICAL, INTENT(IN), OPTIONAL            :: retain_sparsity
-         REAL(kind=real_8), INTENT(IN), OPTIONAL :: filter_eps
-         INTEGER(int_8), INTENT(OUT), OPTIONAL    :: flop
+    
       SUBROUTINE dbcsr_multiply_c(transa, transb, &
+                               alpha, matrix_a, matrix_b, beta, matrix_c, &
+                               first_row, last_row, first_column, last_column, first_k, last_k, &
+                               retain_sparsity, filter_eps, &
+                               flop)
+      CHARACTER(LEN=1), INTENT(IN)                       :: transa, transb
+      COMPLEX(KIND=real_4), INTENT(IN)                   :: alpha
+      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a, matrix_b
+      COMPLEX(KIND=real_4), INTENT(IN)                   :: beta
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_c
+      INTEGER, INTENT(IN), OPTIONAL                      :: first_row, last_row, first_column, &
+                                                            last_column, first_k, last_k
+      LOGICAL, INTENT(IN), OPTIONAL                      :: retain_sparsity
+      REAL(KIND=real_8), INTENT(IN), OPTIONAL            :: filter_eps
+      INTEGER(KIND=int_8), INTENT(OUT), OPTIONAL         :: flop
 
-         CALL dbcsr_multiply_prv(transa, transb, &
-                                 alpha, matrix_a%prv, matrix_b%prv, beta, matrix_c%prv, &
-                                 first_row, last_row, first_column, last_column, first_k, last_k, &
-                                 retain_sparsity, &
-                                 filter_eps=filter_eps, &
-                                 flop=flop)
-      END SUBROUTINE dbcsr_multiply_c
+      CALL dbcsr_multiply_generic(transa, transb, &
+                                  dbcsr_scalar(alpha), matrix_a, matrix_b, dbcsr_scalar(beta), matrix_c, &
+                                  first_row, last_row, first_column, last_column, first_k, last_k, &
+                                  retain_sparsity, &
+                                  filter_eps=filter_eps, &
+                                  flop=flop)
+   END SUBROUTINE dbcsr_multiply_c
    diff --git a/develop/proc/dbcsr_multiply_d.html b/develop/proc/dbcsr_multiply_d.html index 97d38c34c87..c5434b4b8b2 100644 --- a/develop/proc/dbcsr_multiply_d.html +++ b/develop/proc/dbcsr_multiply_d.html @@ -74,20 +74,20 @@

    dbcsr_multiply_d
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    - 
       SUBROUTINE dbcsr_multiply_d(transa, transb, &
-                               alpha, matrix_a, matrix_b, beta, matrix_c, &
-                               first_row, last_row, first_column, last_column, first_k, last_k, &
-                               retain_sparsity, filter_eps, &
-                               flop)
-      CHARACTER(LEN=1), INTENT(IN)                       :: transa, transb
-      REAL(KIND=real_8), INTENT(IN)                      :: alpha
-      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a, matrix_b
-      REAL(KIND=real_8), INTENT(IN)                      :: beta
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_c
-      INTEGER, INTENT(IN), OPTIONAL                      :: first_row, last_row, first_column, &
-                                                            last_column, first_k, last_k
-      LOGICAL, INTENT(IN), OPTIONAL                      :: retain_sparsity
-      REAL(KIND=real_8), INTENT(IN), OPTIONAL            :: filter_eps
-      INTEGER(KIND=int_8), INTENT(OUT), OPTIONAL         :: flop
+    
          SUBROUTINE dbcsr_multiply_d (transa, transb, &
+                                               alpha, matrix_a, matrix_b, beta, matrix_c, &
+                                               first_row, last_row, first_column, last_column, first_k, last_k, &
+                                               retain_sparsity, filter_eps, flop)
+         CHARACTER(LEN=1), INTENT(IN)             :: transa, transb
+         REAL(kind=real_8), INTENT(IN)                      :: alpha
+         TYPE(dbcsr_type), INTENT(IN)             :: matrix_a, matrix_b
+         REAL(kind=real_8), INTENT(IN)                      :: beta
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_c
+         INTEGER, INTENT(IN), OPTIONAL            :: first_row, last_row, &
+                                                     first_column, last_column, &
+                                                     first_k, last_k
+         LOGICAL, INTENT(IN), OPTIONAL            :: retain_sparsity
+         REAL(kind=real_8), INTENT(IN), OPTIONAL :: filter_eps
+         INTEGER(int_8), INTENT(OUT), OPTIONAL    :: flop
 
-      IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_real_4 .AND. &
-          dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_real_4 .AND. &
-          dbcsr_get_data_type(matrix_c) .EQ. dbcsr_type_real_4) THEN
-         CALL dbcsr_multiply_generic(transa, transb, &
-                                     dbcsr_scalar(REAL(alpha, real_4)), matrix_a, matrix_b, &
-                                     dbcsr_scalar(REAL(beta, real_4)), matrix_c, &
-                                     first_row, last_row, first_column, last_column, first_k, last_k, &
-                                     retain_sparsity, &
-                                     filter_eps=filter_eps, &
-                                     flop=flop)
-      ELSEIF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_real_8 .AND. &
-              dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_real_8 .AND. &
-              dbcsr_get_data_type(matrix_c) .EQ. dbcsr_type_real_8) THEN
-         CALL dbcsr_multiply_generic(transa, transb, &
-                                     dbcsr_scalar(alpha), matrix_a, matrix_b, dbcsr_scalar(beta), matrix_c, &
-                                     first_row, last_row, first_column, last_column, first_k, last_k, &
-                                     retain_sparsity, &
-                                     filter_eps=filter_eps, &
-                                     flop=flop)
-      ELSE
-         DBCSR_ABORT("This combination of data types NYI")
-      END IF
-   END SUBROUTINE dbcsr_multiply_d
+         CALL dbcsr_multiply_prv(transa, transb, &
+                                 alpha, matrix_a%prv, matrix_b%prv, beta, matrix_c%prv, &
+                                 first_row, last_row, first_column, last_column, first_k, last_k, &
+                                 retain_sparsity, &
+                                 filter_eps=filter_eps, &
+                                 flop=flop)
+      END SUBROUTINE dbcsr_multiply_d
    diff --git a/develop/proc/dbcsr_multiply_d~2.html b/develop/proc/dbcsr_multiply_d~2.html index 286518d08cd..4ad0a6fdf5c 100644 --- a/develop/proc/dbcsr_multiply_d~2.html +++ b/develop/proc/dbcsr_multiply_d~2.html @@ -74,20 +74,20 @@

    dbcsr_multiply_d
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    - 
          SUBROUTINE dbcsr_multiply_d (transa, transb, &
-                                               alpha, matrix_a, matrix_b, beta, matrix_c, &
-                                               first_row, last_row, first_column, last_column, first_k, last_k, &
-                                               retain_sparsity, filter_eps, flop)
-         CHARACTER(LEN=1), INTENT(IN)             :: transa, transb
-         REAL(kind=real_8), INTENT(IN)                      :: alpha
-         TYPE(dbcsr_type), INTENT(IN)             :: matrix_a, matrix_b
-         REAL(kind=real_8), INTENT(IN)                      :: beta
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_c
-         INTEGER, INTENT(IN), OPTIONAL            :: first_row, last_row, &
-                                                     first_column, last_column, &
-                                                     first_k, last_k
-         LOGICAL, INTENT(IN), OPTIONAL            :: retain_sparsity
-         REAL(kind=real_8), INTENT(IN), OPTIONAL :: filter_eps
-         INTEGER(int_8), INTENT(OUT), OPTIONAL    :: flop
+    
       SUBROUTINE dbcsr_multiply_d(transa, transb, &
+                               alpha, matrix_a, matrix_b, beta, matrix_c, &
+                               first_row, last_row, first_column, last_column, first_k, last_k, &
+                               retain_sparsity, filter_eps, &
+                               flop)
+      CHARACTER(LEN=1), INTENT(IN)                       :: transa, transb
+      REAL(KIND=real_8), INTENT(IN)                      :: alpha
+      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a, matrix_b
+      REAL(KIND=real_8), INTENT(IN)                      :: beta
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_c
+      INTEGER, INTENT(IN), OPTIONAL                      :: first_row, last_row, first_column, &
+                                                            last_column, first_k, last_k
+      LOGICAL, INTENT(IN), OPTIONAL                      :: retain_sparsity
+      REAL(KIND=real_8), INTENT(IN), OPTIONAL            :: filter_eps
+      INTEGER(KIND=int_8), INTENT(OUT), OPTIONAL         :: flop
 
-         CALL dbcsr_multiply_prv(transa, transb, &
-                                 alpha, matrix_a%prv, matrix_b%prv, beta, matrix_c%prv, &
-                                 first_row, last_row, first_column, last_column, first_k, last_k, &
-                                 retain_sparsity, &
-                                 filter_eps=filter_eps, &
-                                 flop=flop)
-      END SUBROUTINE dbcsr_multiply_d
+      IF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_real_4 .AND. &
+          dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_real_4 .AND. &
+          dbcsr_get_data_type(matrix_c) .EQ. dbcsr_type_real_4) THEN
+         CALL dbcsr_multiply_generic(transa, transb, &
+                                     dbcsr_scalar(REAL(alpha, real_4)), matrix_a, matrix_b, &
+                                     dbcsr_scalar(REAL(beta, real_4)), matrix_c, &
+                                     first_row, last_row, first_column, last_column, first_k, last_k, &
+                                     retain_sparsity, &
+                                     filter_eps=filter_eps, &
+                                     flop=flop)
+      ELSEIF (dbcsr_get_data_type(matrix_a) .EQ. dbcsr_type_real_8 .AND. &
+              dbcsr_get_data_type(matrix_b) .EQ. dbcsr_type_real_8 .AND. &
+              dbcsr_get_data_type(matrix_c) .EQ. dbcsr_type_real_8) THEN
+         CALL dbcsr_multiply_generic(transa, transb, &
+                                     dbcsr_scalar(alpha), matrix_a, matrix_b, dbcsr_scalar(beta), matrix_c, &
+                                     first_row, last_row, first_column, last_column, first_k, last_k, &
+                                     retain_sparsity, &
+                                     filter_eps=filter_eps, &
+                                     flop=flop)
+      ELSE
+         DBCSR_ABORT("This combination of data types NYI")
+      END IF
+   END SUBROUTINE dbcsr_multiply_d
    diff --git a/develop/proc/dbcsr_multiply_generic.html b/develop/proc/dbcsr_multiply_generic.html index 28f6619712d..15deafbfea0 100644 --- a/develop/proc/dbcsr_multiply_generic.html +++ b/develop/proc/dbcsr_multiply_generic.html @@ -74,7 +74,7 @@

    dbcsr_multiply_generic
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    Source Code

    flop=my_flop, keep_product_data=keep_product_data) ELSE data_type = dbcsr_get_data_type(product_matrix) -#if defined (__DBCSR_ACC_G2G) IF (data_type .NE. dbcsr_type_real_8 .OR. (.NOT. dbcsr_cfg%use_acc_g2g%val)) THEN ! If G2G is enabled, norms have to be calculated on the GPU. ! Since the norms kernel expects only real_8 type data, we @@ -1064,13 +1063,7 @@

    Source Code

    filter_eps=filter_eps, & flop=my_flop, keep_product_data=keep_product_data) END IF -#else - CALL multiply_cannon(m2s_left, m2s_right, product_matrix, & - retain_sparsity=retain_sparsity, & - filter_eps=filter_eps, & - flop=my_flop, keep_product_data=keep_product_data) -#endif - CALL dbcsr_finalize(product_matrix, reshuffle=PRESENT(filter_eps) .AND. .NOT. keep_sparsity) + CALL dbcsr_finalize(product_matrix, reshuffle=PRESENT(filter_eps) .AND. .NOT. keep_sparsity) END IF ! ! RMA implementation algorithm has to synchronize at the end of each multiplication diff --git a/develop/proc/dbcsr_multiply_print_statistics.html b/develop/proc/dbcsr_multiply_print_statistics.html index 6e99552fc0d..99ec9497c8e 100644 --- a/develop/proc/dbcsr_multiply_print_statistics.html +++ b/develop/proc/dbcsr_multiply_print_statistics.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_multiply_s.html b/develop/proc/dbcsr_multiply_s.html index 7f5a27c2010..f86929fb0c0 100644 --- a/develop/proc/dbcsr_multiply_s.html +++ b/develop/proc/dbcsr_multiply_s.html @@ -79,15 +79,15 @@

    dbcsr_multiply_s
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    - 
       SUBROUTINE dbcsr_multiply_s(transa, transb, &
-                               alpha, matrix_a, matrix_b, beta, matrix_c, &
-                               first_row, last_row, first_column, last_column, first_k, last_k, &
-                               retain_sparsity, filter_eps, &
-                               flop)
-      CHARACTER(LEN=1), INTENT(IN)                       :: transa, transb
-      REAL(KIND=real_4), INTENT(IN)                      :: alpha
-      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a, matrix_b
-      REAL(KIND=real_4), INTENT(IN)                      :: beta
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_c
-      INTEGER, INTENT(IN), OPTIONAL                      :: first_row, last_row, first_column, &
-                                                            last_column, first_k, last_k
-      LOGICAL, INTENT(IN), OPTIONAL                      :: retain_sparsity
-      REAL(KIND=real_8), INTENT(IN), OPTIONAL            :: filter_eps
-      INTEGER(KIND=int_8), INTENT(OUT), OPTIONAL         :: flop
+    
          SUBROUTINE dbcsr_multiply_s (transa, transb, &
+                                               alpha, matrix_a, matrix_b, beta, matrix_c, &
+                                               first_row, last_row, first_column, last_column, first_k, last_k, &
+                                               retain_sparsity, filter_eps, flop)
+         CHARACTER(LEN=1), INTENT(IN)             :: transa, transb
+         REAL(kind=real_4), INTENT(IN)                      :: alpha
+         TYPE(dbcsr_type), INTENT(IN)             :: matrix_a, matrix_b
+         REAL(kind=real_4), INTENT(IN)                      :: beta
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_c
+         INTEGER, INTENT(IN), OPTIONAL            :: first_row, last_row, &
+                                                     first_column, last_column, &
+                                                     first_k, last_k
+         LOGICAL, INTENT(IN), OPTIONAL            :: retain_sparsity
+         REAL(kind=real_8), INTENT(IN), OPTIONAL :: filter_eps
+         INTEGER(int_8), INTENT(OUT), OPTIONAL    :: flop
 
-      CALL dbcsr_multiply_generic(transa, transb, &
-                                  dbcsr_scalar(alpha), matrix_a, matrix_b, dbcsr_scalar(beta), matrix_c, &
-                                  first_row, last_row, first_column, last_column, first_k, last_k, &
-                                  retain_sparsity, &
-                                  filter_eps=filter_eps, &
-                                  flop=flop)
-   END SUBROUTINE dbcsr_multiply_s
+         CALL dbcsr_multiply_prv(transa, transb, &
+                                 alpha, matrix_a%prv, matrix_b%prv, beta, matrix_c%prv, &
+                                 first_row, last_row, first_column, last_column, first_k, last_k, &
+                                 retain_sparsity, &
+                                 filter_eps=filter_eps, &
+                                 flop=flop)
+      END SUBROUTINE dbcsr_multiply_s
    diff --git a/develop/proc/dbcsr_multiply_s~2.html b/develop/proc/dbcsr_multiply_s~2.html index 58a15b8eca9..cc301cc865d 100644 --- a/develop/proc/dbcsr_multiply_s~2.html +++ b/develop/proc/dbcsr_multiply_s~2.html @@ -79,15 +79,15 @@

    dbcsr_multiply_s
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    - 
          SUBROUTINE dbcsr_multiply_s (transa, transb, &
-                                               alpha, matrix_a, matrix_b, beta, matrix_c, &
-                                               first_row, last_row, first_column, last_column, first_k, last_k, &
-                                               retain_sparsity, filter_eps, flop)
-         CHARACTER(LEN=1), INTENT(IN)             :: transa, transb
-         REAL(kind=real_4), INTENT(IN)                      :: alpha
-         TYPE(dbcsr_type), INTENT(IN)             :: matrix_a, matrix_b
-         REAL(kind=real_4), INTENT(IN)                      :: beta
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_c
-         INTEGER, INTENT(IN), OPTIONAL            :: first_row, last_row, &
-                                                     first_column, last_column, &
-                                                     first_k, last_k
-         LOGICAL, INTENT(IN), OPTIONAL            :: retain_sparsity
-         REAL(kind=real_8), INTENT(IN), OPTIONAL :: filter_eps
-         INTEGER(int_8), INTENT(OUT), OPTIONAL    :: flop
+    
       SUBROUTINE dbcsr_multiply_s(transa, transb, &
+                               alpha, matrix_a, matrix_b, beta, matrix_c, &
+                               first_row, last_row, first_column, last_column, first_k, last_k, &
+                               retain_sparsity, filter_eps, &
+                               flop)
+      CHARACTER(LEN=1), INTENT(IN)                       :: transa, transb
+      REAL(KIND=real_4), INTENT(IN)                      :: alpha
+      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a, matrix_b
+      REAL(KIND=real_4), INTENT(IN)                      :: beta
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_c
+      INTEGER, INTENT(IN), OPTIONAL                      :: first_row, last_row, first_column, &
+                                                            last_column, first_k, last_k
+      LOGICAL, INTENT(IN), OPTIONAL                      :: retain_sparsity
+      REAL(KIND=real_8), INTENT(IN), OPTIONAL            :: filter_eps
+      INTEGER(KIND=int_8), INTENT(OUT), OPTIONAL         :: flop
 
-         CALL dbcsr_multiply_prv(transa, transb, &
-                                 alpha, matrix_a%prv, matrix_b%prv, beta, matrix_c%prv, &
-                                 first_row, last_row, first_column, last_column, first_k, last_k, &
-                                 retain_sparsity, &
-                                 filter_eps=filter_eps, &
-                                 flop=flop)
-      END SUBROUTINE dbcsr_multiply_s
+      CALL dbcsr_multiply_generic(transa, transb, &
+                                  dbcsr_scalar(alpha), matrix_a, matrix_b, dbcsr_scalar(beta), matrix_c, &
+                                  first_row, last_row, first_column, last_column, first_k, last_k, &
+                                  retain_sparsity, &
+                                  filter_eps=filter_eps, &
+                                  flop=flop)
+   END SUBROUTINE dbcsr_multiply_s
    diff --git a/develop/proc/dbcsr_multiply_z.html b/develop/proc/dbcsr_multiply_z.html index eb3c7177b67..3092fc45da5 100644 --- a/develop/proc/dbcsr_multiply_z.html +++ b/develop/proc/dbcsr_multiply_z.html @@ -79,15 +79,15 @@

    dbcsr_multiply_z
  • - Source File + Source File
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    Arguments

    @@ -203,8 +203,8 @@

    Arguments

    @@ -248,8 +248,8 @@

    Arguments

    @@ -278,7 +278,7 @@

    Arguments

    @@ -293,7 +293,7 @@

    Arguments

    @@ -308,7 +308,7 @@

    Arguments

    @@ -323,7 +323,7 @@

    Arguments

    @@ -338,7 +338,7 @@

    Arguments

    @@ -353,7 +353,7 @@

    Arguments

    @@ -368,7 +368,7 @@

    Arguments

    @@ -383,7 +383,7 @@

    Arguments

    @@ -413,29 +413,29 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_multiply_z(transa, transb, &
-                               alpha, matrix_a, matrix_b, beta, matrix_c, &
-                               first_row, last_row, first_column, last_column, first_k, last_k, &
-                               retain_sparsity, filter_eps, &
-                               flop)
-      CHARACTER(LEN=1), INTENT(IN)                       :: transa, transb
-      COMPLEX(KIND=real_8), INTENT(IN)                   :: alpha
-      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a, matrix_b
-      COMPLEX(KIND=real_8), INTENT(IN)                   :: beta
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_c
-      INTEGER, INTENT(IN), OPTIONAL                      :: first_row, last_row, first_column, &
-                                                            last_column, first_k, last_k
-      LOGICAL, INTENT(IN), OPTIONAL                      :: retain_sparsity
-      REAL(KIND=real_8), INTENT(IN), OPTIONAL            :: filter_eps
-      INTEGER(KIND=int_8), INTENT(OUT), OPTIONAL         :: flop
+    
          SUBROUTINE dbcsr_multiply_z (transa, transb, &
+                                               alpha, matrix_a, matrix_b, beta, matrix_c, &
+                                               first_row, last_row, first_column, last_column, first_k, last_k, &
+                                               retain_sparsity, filter_eps, flop)
+         CHARACTER(LEN=1), INTENT(IN)             :: transa, transb
+         COMPLEX(kind=real_8), INTENT(IN)                      :: alpha
+         TYPE(dbcsr_type), INTENT(IN)             :: matrix_a, matrix_b
+         COMPLEX(kind=real_8), INTENT(IN)                      :: beta
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_c
+         INTEGER, INTENT(IN), OPTIONAL            :: first_row, last_row, &
+                                                     first_column, last_column, &
+                                                     first_k, last_k
+         LOGICAL, INTENT(IN), OPTIONAL            :: retain_sparsity
+         REAL(kind=real_8), INTENT(IN), OPTIONAL :: filter_eps
+         INTEGER(int_8), INTENT(OUT), OPTIONAL    :: flop
 
-      CALL dbcsr_multiply_generic(transa, transb, &
-                                  dbcsr_scalar(alpha), matrix_a, matrix_b, dbcsr_scalar(beta), matrix_c, &
-                                  first_row, last_row, first_column, last_column, first_k, last_k, &
-                                  retain_sparsity, &
-                                  filter_eps=filter_eps, &
-                                  flop=flop)
-   END SUBROUTINE dbcsr_multiply_z
+         CALL dbcsr_multiply_prv(transa, transb, &
+                                 alpha, matrix_a%prv, matrix_b%prv, beta, matrix_c%prv, &
+                                 first_row, last_row, first_column, last_column, first_k, last_k, &
+                                 retain_sparsity, &
+                                 filter_eps=filter_eps, &
+                                 flop=flop)
+      END SUBROUTINE dbcsr_multiply_z
    diff --git a/develop/proc/dbcsr_multiply_z~2.html b/develop/proc/dbcsr_multiply_z~2.html index b4dc0c3d56e..64477fd9825 100644 --- a/develop/proc/dbcsr_multiply_z~2.html +++ b/develop/proc/dbcsr_multiply_z~2.html @@ -79,15 +79,15 @@

    dbcsr_multiply_z
  • - Source File + Source File
    • @@ -188,7 +188,7 @@

    Arguments

    @@ -203,8 +203,8 @@

    Arguments

    @@ -308,7 +308,7 @@

    Arguments

    @@ -353,7 +353,7 @@

    Arguments

    @@ -413,29 +413,29 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_multiply_z (transa, transb, &
-                                               alpha, matrix_a, matrix_b, beta, matrix_c, &
-                                               first_row, last_row, first_column, last_column, first_k, last_k, &
-                                               retain_sparsity, filter_eps, flop)
-         CHARACTER(LEN=1), INTENT(IN)             :: transa, transb
-         COMPLEX(kind=real_8), INTENT(IN)                      :: alpha
-         TYPE(dbcsr_type), INTENT(IN)             :: matrix_a, matrix_b
-         COMPLEX(kind=real_8), INTENT(IN)                      :: beta
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_c
-         INTEGER, INTENT(IN), OPTIONAL            :: first_row, last_row, &
-                                                     first_column, last_column, &
-                                                     first_k, last_k
-         LOGICAL, INTENT(IN), OPTIONAL            :: retain_sparsity
-         REAL(kind=real_8), INTENT(IN), OPTIONAL :: filter_eps
-         INTEGER(int_8), INTENT(OUT), OPTIONAL    :: flop
+    
       SUBROUTINE dbcsr_multiply_z(transa, transb, &
+                               alpha, matrix_a, matrix_b, beta, matrix_c, &
+                               first_row, last_row, first_column, last_column, first_k, last_k, &
+                               retain_sparsity, filter_eps, &
+                               flop)
+      CHARACTER(LEN=1), INTENT(IN)                       :: transa, transb
+      COMPLEX(KIND=real_8), INTENT(IN)                   :: alpha
+      TYPE(dbcsr_type), INTENT(IN)                       :: matrix_a, matrix_b
+      COMPLEX(KIND=real_8), INTENT(IN)                   :: beta
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_c
+      INTEGER, INTENT(IN), OPTIONAL                      :: first_row, last_row, first_column, &
+                                                            last_column, first_k, last_k
+      LOGICAL, INTENT(IN), OPTIONAL                      :: retain_sparsity
+      REAL(KIND=real_8), INTENT(IN), OPTIONAL            :: filter_eps
+      INTEGER(KIND=int_8), INTENT(OUT), OPTIONAL         :: flop
 
-         CALL dbcsr_multiply_prv(transa, transb, &
-                                 alpha, matrix_a%prv, matrix_b%prv, beta, matrix_c%prv, &
-                                 first_row, last_row, first_column, last_column, first_k, last_k, &
-                                 retain_sparsity, &
-                                 filter_eps=filter_eps, &
-                                 flop=flop)
-      END SUBROUTINE dbcsr_multiply_z
+      CALL dbcsr_multiply_generic(transa, transb, &
+                                  dbcsr_scalar(alpha), matrix_a, matrix_b, dbcsr_scalar(beta), matrix_c, &
+                                  first_row, last_row, first_column, last_column, first_k, last_k, &
+                                  retain_sparsity, &
+                                  filter_eps=filter_eps, &
+                                  flop=flop)
+   END SUBROUTINE dbcsr_multiply_z
    diff --git a/develop/proc/dbcsr_mutable_destroy.html b/develop/proc/dbcsr_mutable_destroy.html index f566cbba0bd..4687f463aaf 100644 --- a/develop/proc/dbcsr_mutable_destroy.html +++ b/develop/proc/dbcsr_mutable_destroy.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mutable_init.html b/develop/proc/dbcsr_mutable_init.html index 520512c7325..6de09cb7cab 100644 --- a/develop/proc/dbcsr_mutable_init.html +++ b/develop/proc/dbcsr_mutable_init.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mutable_instantiated.html b/develop/proc/dbcsr_mutable_instantiated.html index e874a638301..7ebf1f559bd 100644 --- a/develop/proc/dbcsr_mutable_instantiated.html +++ b/develop/proc/dbcsr_mutable_instantiated.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mutable_new.html b/develop/proc/dbcsr_mutable_new.html index cecef7758e4..8c335aaa306 100644 --- a/develop/proc/dbcsr_mutable_new.html +++ b/develop/proc/dbcsr_mutable_new.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_mutable_release.html b/develop/proc/dbcsr_mutable_release.html index 6c878fc38d6..e11d8cf8220 100644 --- a/develop/proc/dbcsr_mutable_release.html +++ b/develop/proc/dbcsr_mutable_release.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_name.html b/develop/proc/dbcsr_name.html index b5415dc39c3..a8e606d7af0 100644 --- a/develop/proc/dbcsr_name.html +++ b/develop/proc/dbcsr_name.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + character(len=default_string_length)

    diff --git a/develop/proc/dbcsr_nblkcols_local.html b/develop/proc/dbcsr_nblkcols_local.html index 6e5042978f2..d28e4e2a7b2 100644 --- a/develop/proc/dbcsr_nblkcols_local.html +++ b/develop/proc/dbcsr_nblkcols_local.html @@ -79,15 +79,15 @@

    dbcsr_nblkcols_local
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_new_transposed.html b/develop/proc/dbcsr_new_transposed.html index 848de05c85f..23a59f68607 100644 --- a/develop/proc/dbcsr_new_transposed.html +++ b/develop/proc/dbcsr_new_transposed.html @@ -163,7 +163,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_nfullcols_local.html b/develop/proc/dbcsr_nfullcols_local.html index e55c6fb298a..8f37da5169a 100644 --- a/develop/proc/dbcsr_nfullcols_local.html +++ b/develop/proc/dbcsr_nfullcols_local.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_nfullcols_total.html b/develop/proc/dbcsr_nfullcols_total.html index 9dbfe32a2d1..04762d7ad8e 100644 --- a/develop/proc/dbcsr_nfullcols_total.html +++ b/develop/proc/dbcsr_nfullcols_total.html @@ -79,15 +79,15 @@

    dbcsr_nfullcols_total
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments

    diff --git a/develop/proc/dbcsr_nfullrows_total.html b/develop/proc/dbcsr_nfullrows_total.html index 8baf76b52c8..4e054e2fa66 100644 --- a/develop/proc/dbcsr_nfullrows_total.html +++ b/develop/proc/dbcsr_nfullrows_total.html @@ -79,15 +79,15 @@

    dbcsr_nfullrows_total
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments

    - + @@ -189,11 +189,11 @@

    Arguments

    @@ -219,22 +219,12 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-      INTEGER, INTENT(IN)                                :: which_norm
-      REAL(KIND=real_8), DIMENSION(:), INTENT(OUT), &
-         TARGET, CONTIGUOUS                              :: norm_vector
 
-      REAL(KIND=real_8), DIMENSION(:), POINTER, CONTIGUOUS :: v_p
-      TYPE(dbcsr_data_obj)                               :: norm_vector_a
-
-      CALL dbcsr_data_init(norm_vector_a)
-      CALL dbcsr_data_new(norm_vector_a, dbcsr_type_real_8)
-      v_p => norm_vector
-      CALL dbcsr_data_set_pointer(norm_vector_a, v_p)
-      CALL dbcsr_norm_vec(matrix, which_norm, norm_vector_a)
-      CALL dbcsr_data_clear_pointer(norm_vector_a)
-      CALL dbcsr_data_release(norm_vector_a)
+      TYPE(dbcsr_type), INTENT(INOUT), TARGET            :: matrix
+      INTEGER, INTENT(IN)                                :: which_norm
+      REAL(dp), DIMENSION(:), INTENT(OUT)                :: norm_vector
 
+      CALL dbcsr_norm_r8_vec_prv(matrix%prv, which_norm, norm_vector)
    END SUBROUTINE dbcsr_norm_r8_vec
    diff --git a/develop/proc/dbcsr_norm_r8_vec~2.html b/develop/proc/dbcsr_norm_r8_vec~2.html index ab2f982d4fc..f8ed286c434 100644 --- a/develop/proc/dbcsr_norm_r8_vec~2.html +++ b/develop/proc/dbcsr_norm_r8_vec~2.html @@ -74,20 +74,20 @@

    dbcsr_norm_r8_vec
  • 6 statements + title=" 0.0% of total for procedures.">14 statements
  • - Source File + Source File
    • @@ -139,7 +139,7 @@

    Contents

    -

    private subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector) +

    public subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)

    @@ -158,12 +158,12 @@

    Arguments

    - + @@ -173,7 +173,7 @@

    Arguments

    @@ -188,12 +188,12 @@

    Arguments

    @@ -219,12 +219,22 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)
-
-      TYPE(dbcsr_type), INTENT(INOUT), TARGET            :: matrix
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
       INTEGER, INTENT(IN)                                :: which_norm
-      REAL(dp), DIMENSION(:), INTENT(OUT)                :: norm_vector
+      REAL(KIND=real_8), DIMENSION(:), INTENT(OUT), &
+         TARGET, CONTIGUOUS                              :: norm_vector
+
+      REAL(KIND=real_8), DIMENSION(:), POINTER, CONTIGUOUS :: v_p
+      TYPE(dbcsr_data_obj)                               :: norm_vector_a
+
+      CALL dbcsr_data_init(norm_vector_a)
+      CALL dbcsr_data_new(norm_vector_a, dbcsr_type_real_8)
+      v_p => norm_vector
+      CALL dbcsr_data_set_pointer(norm_vector_a, v_p)
+      CALL dbcsr_norm_vec(matrix, which_norm, norm_vector_a)
+      CALL dbcsr_data_clear_pointer(norm_vector_a)
+      CALL dbcsr_data_release(norm_vector_a)
 
-      CALL dbcsr_norm_r8_vec_prv(matrix%prv, which_norm, norm_vector)
    END SUBROUTINE dbcsr_norm_r8_vec
    diff --git a/develop/proc/dbcsr_norm_scalar.html b/develop/proc/dbcsr_norm_scalar.html index a7b31bd8f53..04601f236b6 100644 --- a/develop/proc/dbcsr_norm_scalar.html +++ b/develop/proc/dbcsr_norm_scalar.html @@ -74,20 +74,20 @@

    dbcsr_norm_scalar
  • 19 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -126,6 +126,12 @@

    Contents

    +
    +

    Source Code

    +
    + dbcsr_norm_scalar +
    +
    @@ -133,11 +139,10 @@

    Contents

    -

    public subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar) +

    private subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar)

    -

    compute a norm of a dbcsr matrix

    Arguments

    @@ -153,17 +158,17 @@

    Arguments

    - + @@ -184,7 +189,7 @@

    Arguments

    - + @@ -189,7 +184,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_pack_meta.html b/develop/proc/dbcsr_pack_meta.html index 27d21c31094..8821c01a1f4 100644 --- a/develop/proc/dbcsr_pack_meta.html +++ b/develop/proc/dbcsr_pack_meta.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_print.html b/develop/proc/dbcsr_print.html index 65b4d038116..498c4139b62 100644 --- a/develop/proc/dbcsr_print.html +++ b/develop/proc/dbcsr_print.html @@ -74,20 +74,20 @@

    dbcsr_print
  • 132 statements + title=" 0.0% of total for procedures.">7 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public subroutine dbcsr_print(matrix, nodata, matlab_format, variable_name,

    -

    Prints a BCSR matrix (block-style, not full)

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,7 +183,7 @@

    Arguments

    @@ -199,7 +198,7 @@

    Arguments

    @@ -219,10 +218,10 @@

    Arguments

    - + @@ -250,186 +249,12 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_print(matrix, nodata, matlab_format, variable_name, unit_nr)
-      !! Prints a BCSR matrix (block-style, not full)
-
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         !! matrix
       LOGICAL, INTENT(IN), OPTIONAL                      :: nodata, matlab_format
-         !! don't print actual data
-      CHARACTER(LEN=*), INTENT(IN), OPTIONAL             :: variable_name
-      INTEGER, INTENT(IN), OPTIONAL                      :: unit_nr
-
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_print', routineP = moduleN//':'//routineN
-
-      COMPLEX(KIND=real_4), DIMENSION(:), POINTER        :: c_sp
-      COMPLEX(KIND=real_8), DIMENSION(:), POINTER        :: c_dp
-      INTEGER                                            :: ablk_p, bc, blk, blk_p, br, ebr, fblk, &
-                                                            handle, ibr, iunit, lblk, m, mn, n, &
-                                                            sblk
-      INTEGER, DIMENSION(:), POINTER                     :: col_blk_offset, col_blk_size, &
-                                                            local_cols, local_rows, &
-                                                            row_blk_offset, row_blk_size
-      LOGICAL                                            :: my_matlab_format, tr, yesprint
-      REAL(KIND=dp)                                      :: blk_cs
-      REAL(KIND=real_4), DIMENSION(:), POINTER           :: r_sp
-      REAL(KIND=real_8), DIMENSION(:), POINTER           :: r_dp
-
-!   ---------------------------------------------------------------------------
-
-      CALL timeset(routineN, handle)
-      IF (.NOT. dbcsr_valid_index(matrix)) &
-         DBCSR_WARN("Can not print invalid matrix.")
-
-      iunit = default_output_unit
-      IF (PRESENT(unit_nr)) iunit = unit_nr
-
-      my_matlab_format = .FALSE.
-      IF (PRESENT(matlab_format)) my_matlab_format = matlab_format
-      yesprint = .TRUE.
-      IF (PRESENT(nodata)) yesprint = .NOT. nodata
-      WRITE (iunit, *) routineP//' Contents of matrix named ', matrix%name
-      WRITE (iunit, *) routineP//' Flags ', matrix%symmetry, &
-         matrix%negate_real, matrix%negate_imaginary, "type", &
-         dbcsr_get_data_type(matrix), "serial", matrix%serial_number
-      WRITE (iunit, '(1X,A,3(1X,I9,1X,A))') routineP, matrix%nblks, "blocks", &
-         matrix%nze, "nzes,", dbcsr_get_data_size(matrix), "data els", &
-         dbcsr_data_get_size_referenced(matrix%data_area), "used"
-      WRITE (iunit, '(1X,A,I5,A,I5)') routineP//" Full size", &
-         matrix%nfullrows_total, "x", matrix%nfullcols_total
-      WRITE (iunit, '(1X,A,I5,A,I5)') routineP//" Blocked size", &
-         matrix%nblkrows_total, "x", matrix%nblkcols_total
-      SELECT CASE (matrix%data_type)
-      CASE (dbcsr_type_real_8)
-         CALL dbcsr_get_data(matrix%data_area, r_dp)
-      CASE (dbcsr_type_real_4)
-         CALL dbcsr_get_data(matrix%data_area, r_sp)
-      CASE (dbcsr_type_complex_8)
-         CALL dbcsr_get_data(matrix%data_area, c_dp)
-      CASE (dbcsr_type_complex_4)
-         CALL dbcsr_get_data(matrix%data_area, c_sp)
-      END SELECT
-      row_blk_size => array_data(matrix%row_blk_size)
-      col_blk_size => array_data(matrix%col_blk_size)
-      row_blk_offset => array_data(matrix%row_blk_offset)
-      col_blk_offset => array_data(matrix%col_blk_offset)
+      CHARACTER(*), INTENT(in), OPTIONAL                 :: variable_name
+      INTEGER, OPTIONAL                                  :: unit_nr
 
-      IF (matrix%nblks .GT. 0) THEN
-         IF (matrix%list_indexing) THEN
-            IF (SIZE(matrix%coo_l) .NE. 3*matrix%nblks) &
-               DBCSR_ABORT("Wrong list")
-            ebr = 1
-            sblk = 3
-         ELSE
-            ebr = matrix%nblkrows_total
-            sblk = 1
-         END IF
-         DO ibr = 1, ebr
-            IF (matrix%list_indexing) THEN
-               fblk = 1
-               lblk = SIZE(matrix%coo_l)
-            ELSE
-               br = ibr
-               fblk = matrix%row_p(br) + 1
-               lblk = matrix%row_p(br + 1)
-               m = row_blk_size(br)
-            END IF
-            DO blk = fblk, lblk, sblk
-               IF (matrix%list_indexing) THEN
-                  br = matrix%coo_l(blk)
-                  bc = matrix%coo_l(blk + 1)
-                  IF (matrix%local_indexing) THEN
-                     local_rows => array_data(matrix%local_rows)
-                     local_cols => array_data(matrix%local_cols)
-                     br = local_rows(br)
-                     bc = local_cols(bc)
-                  END IF
-                  m = row_blk_size(br)
-                  ablk_p = matrix%coo_l(blk + 2)
-               ELSE
-                  bc = matrix%col_i(blk)
-                  ablk_p = matrix%blk_p(blk)
-               END IF
-               n = col_blk_size(bc)
-               mn = m*n
-               blk_p = ABS(ablk_p)
-               tr = ablk_p .LT. 0
-               block_exists: IF (blk_p .NE. 0) THEN
-                  IF (mn .GT. 0) THEN
-                     SELECT CASE (matrix%data_type)
-                     CASE (dbcsr_type_real_8)
-                        blk_cs = REAL(DOT_PRODUCT(r_dp(blk_p:blk_p + mn - 1), &
-                                                  r_dp(blk_p:blk_p + mn - 1)), KIND=dp)
-                        !CALL &
-                        !     dbcsr_printmat(r_dp(blk_p:blk_p+mn-1),m,n, tr=tr)
-                     CASE (dbcsr_type_real_4)
-                        blk_cs = REAL(DOT_PRODUCT(r_sp(blk_p:blk_p + mn - 1), &
-                                                  r_sp(blk_p:blk_p + mn - 1)), KIND=dp)
-                        !CALL &
-                        !     dbcsr_printmat(r_sp(blk_p:blk_p+mn-1),m,n, tr=tr)
-                     CASE (dbcsr_type_complex_8)
-                        blk_cs = REAL(DOT_PRODUCT(c_dp(blk_p:blk_p + mn - 1), &
-                                                  c_dp(blk_p:blk_p + mn - 1)), KIND=dp)
-                        !CALL &
-                        !     dbcsr_printmat(c_dp(blk_p:blk_p+mn-1),m,n, tr=tr)
-                     CASE (dbcsr_type_complex_4)
-                        blk_cs = REAL(DOT_PRODUCT(c_sp(blk_p:blk_p + mn - 1), &
-                                                  c_sp(blk_p:blk_p + mn - 1)), KIND=dp)
-                        !CALL &
-                        !     dbcsr_printmat(c_sp(blk_p:blk_p+mn-1),m,n, tr=tr)
-                     END SELECT
-                  ELSE
-                     blk_cs = 0.0_dp
-                  END IF
-                  !WRITE(iunit,*)routineP//' chksum for (',br,',',bc,') at',&
-                  !     blk_p,'l',mn,'= ', blk_cs,'size',m,n
-                  IF (.NOT. my_matlab_format) WRITE (iunit, '(A,I6,",",I6,A,I7,A,I6,I6,"=",I7,A,E12.3)') &
-                     !" Checksum for (",br,bc,") at ",blk_p," size ",m,n,mn,&
-                     " Checksum for (", br, bc, ") at ", ablk_p, " size ", m, n, mn, &
-                     " checksum=", blk_cs
-                  IF (yesprint .AND. blk_p .NE. 0) THEN
-                     IF (mn .GT. 0) THEN
-                        SELECT CASE (matrix%data_type)
-                        CASE (dbcsr_type_real_8)
-                           !WRITE(iunit,'(10(1X,F7.2))')r_dp(blk_p:blk_p+mn-1)
-                           IF (my_matlab_format) THEN
-                              CALL dbcsr_printmat_matlab_d(r_dp(blk_p:blk_p + mn - 1), m, n, &
-                                                           row_blk_offset(br), col_blk_offset(bc), iunit, tr=tr, &
-                                                           variable_name=variable_name)
-                           ELSE
-                              CALL dbcsr_printmat(r_dp(blk_p:blk_p + mn - 1), m, n, iunit=iunit, tr=tr)
-                           END IF
-                        CASE (dbcsr_type_real_4)
-                           IF (my_matlab_format) THEN
-                              CALL dbcsr_printmat_matlab_s(r_sp(blk_p:blk_p + mn - 1), m, n, &
-                                                           row_blk_offset(br), col_blk_offset(bc), iunit, tr=tr, &
-                                                           variable_name=variable_name)
-                           ELSE
-                              CALL dbcsr_printmat(r_sp(blk_p:blk_p + mn - 1), m, n, iunit=iunit, tr=tr)
-                           END IF
-                        CASE (dbcsr_type_complex_8)
-                           IF (my_matlab_format) THEN
-                              CALL dbcsr_printmat_matlab_z(c_dp(blk_p:blk_p + mn - 1), m, n, &
-                                                           row_blk_offset(br), col_blk_offset(bc), iunit, tr=tr, &
-                                                           variable_name=variable_name)
-                           ELSE
-                              CALL dbcsr_printmat(c_dp(blk_p:blk_p + mn - 1), m, n, iunit=iunit, tr=tr)
-                           END IF
-                        CASE (dbcsr_type_complex_4)
-                           IF (my_matlab_format) THEN
-                              CALL dbcsr_printmat_matlab_c(c_sp(blk_p:blk_p + mn - 1), m, n, &
-                                                           row_blk_offset(br), col_blk_offset(bc), iunit, tr=tr, &
-                                                           variable_name=variable_name)
-                           ELSE
-                              CALL dbcsr_printmat(c_sp(blk_p:blk_p + mn - 1), m, n, iunit=iunit, tr=tr)
-                           END IF
-                        END SELECT
-                     END IF
-                  END IF
-               END IF block_exists
-            END DO
-         END DO
-      END IF
-      CALL timestop(handle)
+      CALL dbcsr_print_prv(matrix%prv, nodata, matlab_format, variable_name, unit_nr)
    END SUBROUTINE dbcsr_print
    diff --git a/develop/proc/dbcsr_print_block_sum.html b/develop/proc/dbcsr_print_block_sum.html index 6c1ef63ff35..bf6a33e834a 100644 --- a/develop/proc/dbcsr_print_block_sum.html +++ b/develop/proc/dbcsr_print_block_sum.html @@ -74,20 +74,20 @@

    dbcsr_print_block_sum
  • 68 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,7 @@

    public subroutine dbcsr_print_block_sum(matrix, unit_nr)

    -

    Prints the sum of the elements for each block

    +

    Prints the sum of the elements in each block

    Arguments

    @@ -159,8 +159,8 @@

    Arguments

    - + @@ -205,95 +205,11 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_print_block_sum(matrix, unit_nr)
-      !! Prints the sum of the elements for each block
-
+      !! Prints the sum of the elements in each block
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         !! matrix
-      INTEGER, INTENT(IN), OPTIONAL                      :: unit_nr
-
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_print_block_sum'
-
-      COMPLEX(KIND=real_4)                               :: blk_sum_c_sp
-      COMPLEX(KIND=real_4), DIMENSION(:), POINTER        :: c_sp
-      COMPLEX(KIND=real_8)                               :: blk_sum_c_dp
-      COMPLEX(KIND=real_8), DIMENSION(:), POINTER        :: c_dp
-      INTEGER                                            :: bc, blk, blk_p, br, handle, iunit, m, &
-                                                            mn, n
-      INTEGER, DIMENSION(:), POINTER                     :: col_blk_offset, col_blk_size, &
-                                                            row_blk_offset, row_blk_size
-      REAL(KIND=real_4)                                  :: blk_sum_r_sp
-      REAL(KIND=real_4), DIMENSION(:), POINTER           :: r_sp
-      REAL(KIND=real_8)                                  :: blk_sum_r_dp
-      REAL(KIND=real_8), DIMENSION(:), POINTER           :: r_dp
-
-!   ---------------------------------------------------------------------------
-
-      CALL timeset(routineN, handle)
-      IF (.NOT. dbcsr_valid_index(matrix)) &
-         DBCSR_WARN("Can not print invalid matrix.")
-
-      iunit = default_output_unit
-      IF (PRESENT(unit_nr)) iunit = unit_nr
-
-      IF (iunit > 0) THEN
-
-         SELECT CASE (matrix%data_type)
-         CASE (dbcsr_type_real_8)
-            CALL dbcsr_get_data(matrix%data_area, r_dp)
-         CASE (dbcsr_type_real_4)
-            CALL dbcsr_get_data(matrix%data_area, r_sp)
-         CASE (dbcsr_type_complex_8)
-            CALL dbcsr_get_data(matrix%data_area, c_dp)
-         CASE (dbcsr_type_complex_4)
-            CALL dbcsr_get_data(matrix%data_area, c_sp)
-         END SELECT
-         row_blk_size => array_data(matrix%row_blk_size)
-         col_blk_size => array_data(matrix%col_blk_size)
-         row_blk_offset => array_data(matrix%row_blk_offset)
-         col_blk_offset => array_data(matrix%col_blk_offset)
-
-         IF (matrix%nblks .GT. 0) THEN
-            DO br = 1, matrix%nblkrows_total
-               m = row_blk_size(br)
-               DO blk = matrix%row_p(br) + 1, matrix%row_p(br + 1)
-                  bc = matrix%col_i(blk)
-                  n = col_blk_size(bc)
-                  mn = m*n
-                  blk_p = ABS(matrix%blk_p(blk))
-                  block_exists: IF (blk_p .NE. 0) THEN
-                     IF (mn .GT. 0) THEN
-                        SELECT CASE (matrix%data_type)
-                        CASE (dbcsr_type_real_8)
-                           blk_sum_r_dp = SUM(r_dp(blk_p:blk_p + mn - 1))
-                           WRITE (iunit, '(I6,I6,ES18.9)') &
-                              br, bc, blk_sum_r_dp
-                        CASE (dbcsr_type_real_4)
-                           blk_sum_r_sp = SUM(r_sp(blk_p:blk_p + mn - 1))
-                           WRITE (iunit, '(I6,I6,ES18.9)') &
-                              br, bc, blk_sum_r_sp
-                        CASE (dbcsr_type_complex_8)
-                           blk_sum_c_dp = SUM(c_dp(blk_p:blk_p + mn - 1))
-                           WRITE (iunit, '(I6,I6,ES18.9," I*",ES18.9)') &
-                              br, bc, REAL(blk_sum_c_dp), AIMAG(blk_sum_c_dp)
-                        CASE (dbcsr_type_complex_4)
-                           blk_sum_c_sp = SUM(c_sp(blk_p:blk_p + mn - 1))
-                           WRITE (iunit, '(I6,I6,ES18.9," I*",ES18.9)') &
-                              br, bc, REAL(blk_sum_c_sp), AIMAG(blk_sum_c_sp)
-                        END SELECT
-                     ELSE
-                        blk_sum_r_dp = 0.0_dp
-                        WRITE (iunit, '(I6,I6,ES18.9)') &
-                           br, bc, blk_sum_r_dp
-                     END IF
-                  END IF block_exists
-               END DO
-            END DO
-         END IF
-
-      END IF ! unit > 0
-
-      CALL timestop(handle)
+      INTEGER, OPTIONAL                                  :: unit_nr
 
+      CALL dbcsr_print_block_sum_prv(matrix%prv, unit_nr)
    END SUBROUTINE dbcsr_print_block_sum
    diff --git a/develop/proc/dbcsr_print_block_sum~2.html b/develop/proc/dbcsr_print_block_sum~2.html index ecf7833811d..241fe4696b7 100644 --- a/develop/proc/dbcsr_print_block_sum~2.html +++ b/develop/proc/dbcsr_print_block_sum~2.html @@ -74,20 +74,20 @@

    dbcsr_print_block_sum
  • 5 statements + title=" 0.1% of total for procedures.">68 statements
  • - Source File + Source File
    • @@ -143,7 +143,7 @@

    public subroutine dbcsr_print_block_sum(matrix, unit_nr)

    -

    Prints the sum of the elements in each block

    +

    Prints the sum of the elements for each block

    Arguments

    @@ -159,8 +159,8 @@

    Arguments

    - + @@ -205,11 +205,95 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_print_block_sum(matrix, unit_nr)
-      !! Prints the sum of the elements in each block
+      !! Prints the sum of the elements for each block
+
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-      INTEGER, OPTIONAL                                  :: unit_nr
+         !! matrix
+      INTEGER, INTENT(IN), OPTIONAL                      :: unit_nr
+
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_print_block_sum'
+
+      COMPLEX(KIND=real_4)                               :: blk_sum_c_sp
+      COMPLEX(KIND=real_4), DIMENSION(:), POINTER        :: c_sp
+      COMPLEX(KIND=real_8)                               :: blk_sum_c_dp
+      COMPLEX(KIND=real_8), DIMENSION(:), POINTER        :: c_dp
+      INTEGER                                            :: bc, blk, blk_p, br, handle, iunit, m, &
+                                                            mn, n
+      INTEGER, DIMENSION(:), POINTER                     :: col_blk_offset, col_blk_size, &
+                                                            row_blk_offset, row_blk_size
+      REAL(KIND=real_4)                                  :: blk_sum_r_sp
+      REAL(KIND=real_4), DIMENSION(:), POINTER           :: r_sp
+      REAL(KIND=real_8)                                  :: blk_sum_r_dp
+      REAL(KIND=real_8), DIMENSION(:), POINTER           :: r_dp
+
+!   ---------------------------------------------------------------------------
+
+      CALL timeset(routineN, handle)
+      IF (.NOT. dbcsr_valid_index(matrix)) &
+         DBCSR_WARN("Can not print invalid matrix.")
+
+      iunit = default_output_unit
+      IF (PRESENT(unit_nr)) iunit = unit_nr
+
+      IF (iunit > 0) THEN
+
+         SELECT CASE (matrix%data_type)
+         CASE (dbcsr_type_real_8)
+            CALL dbcsr_get_data(matrix%data_area, r_dp)
+         CASE (dbcsr_type_real_4)
+            CALL dbcsr_get_data(matrix%data_area, r_sp)
+         CASE (dbcsr_type_complex_8)
+            CALL dbcsr_get_data(matrix%data_area, c_dp)
+         CASE (dbcsr_type_complex_4)
+            CALL dbcsr_get_data(matrix%data_area, c_sp)
+         END SELECT
+         row_blk_size => array_data(matrix%row_blk_size)
+         col_blk_size => array_data(matrix%col_blk_size)
+         row_blk_offset => array_data(matrix%row_blk_offset)
+         col_blk_offset => array_data(matrix%col_blk_offset)
+
+         IF (matrix%nblks .GT. 0) THEN
+            DO br = 1, matrix%nblkrows_total
+               m = row_blk_size(br)
+               DO blk = matrix%row_p(br) + 1, matrix%row_p(br + 1)
+                  bc = matrix%col_i(blk)
+                  n = col_blk_size(bc)
+                  mn = m*n
+                  blk_p = ABS(matrix%blk_p(blk))
+                  block_exists: IF (blk_p .NE. 0) THEN
+                     IF (mn .GT. 0) THEN
+                        SELECT CASE (matrix%data_type)
+                        CASE (dbcsr_type_real_8)
+                           blk_sum_r_dp = SUM(r_dp(blk_p:blk_p + mn - 1))
+                           WRITE (iunit, '(I6,I6,ES18.9)') &
+                              br, bc, blk_sum_r_dp
+                        CASE (dbcsr_type_real_4)
+                           blk_sum_r_sp = SUM(r_sp(blk_p:blk_p + mn - 1))
+                           WRITE (iunit, '(I6,I6,ES18.9)') &
+                              br, bc, blk_sum_r_sp
+                        CASE (dbcsr_type_complex_8)
+                           blk_sum_c_dp = SUM(c_dp(blk_p:blk_p + mn - 1))
+                           WRITE (iunit, '(I6,I6,ES18.9," I*",ES18.9)') &
+                              br, bc, REAL(blk_sum_c_dp), AIMAG(blk_sum_c_dp)
+                        CASE (dbcsr_type_complex_4)
+                           blk_sum_c_sp = SUM(c_sp(blk_p:blk_p + mn - 1))
+                           WRITE (iunit, '(I6,I6,ES18.9," I*",ES18.9)') &
+                              br, bc, REAL(blk_sum_c_sp), AIMAG(blk_sum_c_sp)
+                        END SELECT
+                     ELSE
+                        blk_sum_r_dp = 0.0_dp
+                        WRITE (iunit, '(I6,I6,ES18.9)') &
+                           br, bc, blk_sum_r_dp
+                     END IF
+                  END IF block_exists
+               END DO
+            END DO
+         END IF
+
+      END IF ! unit > 0
+
+      CALL timestop(handle)
 
-      CALL dbcsr_print_block_sum_prv(matrix%prv, unit_nr)
    END SUBROUTINE dbcsr_print_block_sum
    diff --git a/develop/proc/dbcsr_print_config.html b/develop/proc/dbcsr_print_config.html index 9a83f28f999..8c34b490f19 100644 --- a/develop/proc/dbcsr_print_config.html +++ b/develop/proc/dbcsr_print_config.html @@ -74,7 +74,7 @@

    dbcsr_print_config
  • 72 statements + title=" 0.1% of total for procedures.">73 statements
  • @@ -159,7 +159,7 @@

    Arguments

    • @@ -314,11 +314,9 @@

    Source Code

    WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & "DBCSR| ACC: Min. flop for processing", dbcsr_cfg%accdrv_min_flop_process%val, & dbcsr_cfg%accdrv_min_flop_process%print_source() -#if defined(__DBCSR_ACC_G2G) WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & "DBCSR| ACC: Use G2G algorithm", dbcsr_cfg%use_acc_g2g%val, & dbcsr_cfg%use_acc_g2g%print_source() -#endif IF (dbcsr_cfg%accdrv_stack_sort%val) THEN WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & "DBCSR| ACC: Min. flop for sorting", dbcsr_cfg%accdrv_min_flop_sort%val, & diff --git a/develop/proc/dbcsr_print_statistics.html b/develop/proc/dbcsr_print_statistics.html index 56fc0596090..3c9525186c8 100644 --- a/develop/proc/dbcsr_print_statistics.html +++ b/develop/proc/dbcsr_print_statistics.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_printmat_matlab_c.html b/develop/proc/dbcsr_printmat_matlab_c.html index 1a5db3bff31..f1f142a7bb3 100644 --- a/develop/proc/dbcsr_printmat_matlab_c.html +++ b/develop/proc/dbcsr_printmat_matlab_c.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -248,7 +248,7 @@

    Arguments

    @@ -263,7 +263,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_printmat_matlab_d.html b/develop/proc/dbcsr_printmat_matlab_d.html index 63bd7ba5c50..b8b6f8bf8bf 100644 --- a/develop/proc/dbcsr_printmat_matlab_d.html +++ b/develop/proc/dbcsr_printmat_matlab_d.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    @@ -254,7 +254,7 @@

    Arguments

    @@ -269,7 +269,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_printmat_matlab_s.html b/develop/proc/dbcsr_printmat_matlab_s.html index 8dc04668bdf..1d8da31266b 100644 --- a/develop/proc/dbcsr_printmat_matlab_s.html +++ b/develop/proc/dbcsr_printmat_matlab_s.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -248,7 +248,7 @@

    Arguments

    @@ -263,7 +263,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_printmat_matlab_z.html b/develop/proc/dbcsr_printmat_matlab_z.html index aa5aac949a1..55f86764c5d 100644 --- a/develop/proc/dbcsr_printmat_matlab_z.html +++ b/develop/proc/dbcsr_printmat_matlab_z.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -248,7 +248,7 @@

    Arguments

    @@ -263,7 +263,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_print~2.html b/develop/proc/dbcsr_print~2.html index cf040b39eeb..0ef7043034f 100644 --- a/develop/proc/dbcsr_print~2.html +++ b/develop/proc/dbcsr_print~2.html @@ -74,20 +74,20 @@

    dbcsr_print
  • 7 statements + title=" 0.2% of total for procedures.">132 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public subroutine dbcsr_print(matrix, nodata, matlab_format, variable_name,

    +

    Prints a BCSR matrix (block-style, not full)

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,7 +184,7 @@

    Arguments

    @@ -198,12 +199,12 @@

    Arguments

    @@ -218,10 +219,10 @@

    Arguments

    - + @@ -249,12 +250,186 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_print(matrix, nodata, matlab_format, variable_name, unit_nr)
+      !! Prints a BCSR matrix (block-style, not full)
+
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         !! matrix
       LOGICAL, INTENT(IN), OPTIONAL                      :: nodata, matlab_format
-      CHARACTER(*), INTENT(in), OPTIONAL                 :: variable_name
-      INTEGER, OPTIONAL                                  :: unit_nr
+         !! don't print actual data
+      CHARACTER(LEN=*), INTENT(IN), OPTIONAL             :: variable_name
+      INTEGER, INTENT(IN), OPTIONAL                      :: unit_nr
+
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_print', routineP = moduleN//':'//routineN
+
+      COMPLEX(KIND=real_4), DIMENSION(:), POINTER        :: c_sp
+      COMPLEX(KIND=real_8), DIMENSION(:), POINTER        :: c_dp
+      INTEGER                                            :: ablk_p, bc, blk, blk_p, br, ebr, fblk, &
+                                                            handle, ibr, iunit, lblk, m, mn, n, &
+                                                            sblk
+      INTEGER, DIMENSION(:), POINTER                     :: col_blk_offset, col_blk_size, &
+                                                            local_cols, local_rows, &
+                                                            row_blk_offset, row_blk_size
+      LOGICAL                                            :: my_matlab_format, tr, yesprint
+      REAL(KIND=dp)                                      :: blk_cs
+      REAL(KIND=real_4), DIMENSION(:), POINTER           :: r_sp
+      REAL(KIND=real_8), DIMENSION(:), POINTER           :: r_dp
+
+!   ---------------------------------------------------------------------------
+
+      CALL timeset(routineN, handle)
+      IF (.NOT. dbcsr_valid_index(matrix)) &
+         DBCSR_WARN("Can not print invalid matrix.")
+
+      iunit = default_output_unit
+      IF (PRESENT(unit_nr)) iunit = unit_nr
+
+      my_matlab_format = .FALSE.
+      IF (PRESENT(matlab_format)) my_matlab_format = matlab_format
+      yesprint = .TRUE.
+      IF (PRESENT(nodata)) yesprint = .NOT. nodata
+      WRITE (iunit, *) routineP//' Contents of matrix named ', matrix%name
+      WRITE (iunit, *) routineP//' Flags ', matrix%symmetry, &
+         matrix%negate_real, matrix%negate_imaginary, "type", &
+         dbcsr_get_data_type(matrix), "serial", matrix%serial_number
+      WRITE (iunit, '(1X,A,3(1X,I9,1X,A))') routineP, matrix%nblks, "blocks", &
+         matrix%nze, "nzes,", dbcsr_get_data_size(matrix), "data els", &
+         dbcsr_data_get_size_referenced(matrix%data_area), "used"
+      WRITE (iunit, '(1X,A,I5,A,I5)') routineP//" Full size", &
+         matrix%nfullrows_total, "x", matrix%nfullcols_total
+      WRITE (iunit, '(1X,A,I5,A,I5)') routineP//" Blocked size", &
+         matrix%nblkrows_total, "x", matrix%nblkcols_total
+      SELECT CASE (matrix%data_type)
+      CASE (dbcsr_type_real_8)
+         CALL dbcsr_get_data(matrix%data_area, r_dp)
+      CASE (dbcsr_type_real_4)
+         CALL dbcsr_get_data(matrix%data_area, r_sp)
+      CASE (dbcsr_type_complex_8)
+         CALL dbcsr_get_data(matrix%data_area, c_dp)
+      CASE (dbcsr_type_complex_4)
+         CALL dbcsr_get_data(matrix%data_area, c_sp)
+      END SELECT
+      row_blk_size => array_data(matrix%row_blk_size)
+      col_blk_size => array_data(matrix%col_blk_size)
+      row_blk_offset => array_data(matrix%row_blk_offset)
+      col_blk_offset => array_data(matrix%col_blk_offset)
 
-      CALL dbcsr_print_prv(matrix%prv, nodata, matlab_format, variable_name, unit_nr)
+      IF (matrix%nblks .GT. 0) THEN
+         IF (matrix%list_indexing) THEN
+            IF (SIZE(matrix%coo_l) .NE. 3*matrix%nblks) &
+               DBCSR_ABORT("Wrong list")
+            ebr = 1
+            sblk = 3
+         ELSE
+            ebr = matrix%nblkrows_total
+            sblk = 1
+         END IF
+         DO ibr = 1, ebr
+            IF (matrix%list_indexing) THEN
+               fblk = 1
+               lblk = SIZE(matrix%coo_l)
+            ELSE
+               br = ibr
+               fblk = matrix%row_p(br) + 1
+               lblk = matrix%row_p(br + 1)
+               m = row_blk_size(br)
+            END IF
+            DO blk = fblk, lblk, sblk
+               IF (matrix%list_indexing) THEN
+                  br = matrix%coo_l(blk)
+                  bc = matrix%coo_l(blk + 1)
+                  IF (matrix%local_indexing) THEN
+                     local_rows => array_data(matrix%local_rows)
+                     local_cols => array_data(matrix%local_cols)
+                     br = local_rows(br)
+                     bc = local_cols(bc)
+                  END IF
+                  m = row_blk_size(br)
+                  ablk_p = matrix%coo_l(blk + 2)
+               ELSE
+                  bc = matrix%col_i(blk)
+                  ablk_p = matrix%blk_p(blk)
+               END IF
+               n = col_blk_size(bc)
+               mn = m*n
+               blk_p = ABS(ablk_p)
+               tr = ablk_p .LT. 0
+               block_exists: IF (blk_p .NE. 0) THEN
+                  IF (mn .GT. 0) THEN
+                     SELECT CASE (matrix%data_type)
+                     CASE (dbcsr_type_real_8)
+                        blk_cs = REAL(DOT_PRODUCT(r_dp(blk_p:blk_p + mn - 1), &
+                                                  r_dp(blk_p:blk_p + mn - 1)), KIND=dp)
+                        !CALL &
+                        !     dbcsr_printmat(r_dp(blk_p:blk_p+mn-1),m,n, tr=tr)
+                     CASE (dbcsr_type_real_4)
+                        blk_cs = REAL(DOT_PRODUCT(r_sp(blk_p:blk_p + mn - 1), &
+                                                  r_sp(blk_p:blk_p + mn - 1)), KIND=dp)
+                        !CALL &
+                        !     dbcsr_printmat(r_sp(blk_p:blk_p+mn-1),m,n, tr=tr)
+                     CASE (dbcsr_type_complex_8)
+                        blk_cs = REAL(DOT_PRODUCT(c_dp(blk_p:blk_p + mn - 1), &
+                                                  c_dp(blk_p:blk_p + mn - 1)), KIND=dp)
+                        !CALL &
+                        !     dbcsr_printmat(c_dp(blk_p:blk_p+mn-1),m,n, tr=tr)
+                     CASE (dbcsr_type_complex_4)
+                        blk_cs = REAL(DOT_PRODUCT(c_sp(blk_p:blk_p + mn - 1), &
+                                                  c_sp(blk_p:blk_p + mn - 1)), KIND=dp)
+                        !CALL &
+                        !     dbcsr_printmat(c_sp(blk_p:blk_p+mn-1),m,n, tr=tr)
+                     END SELECT
+                  ELSE
+                     blk_cs = 0.0_dp
+                  END IF
+                  !WRITE(iunit,*)routineP//' chksum for (',br,',',bc,') at',&
+                  !     blk_p,'l',mn,'= ', blk_cs,'size',m,n
+                  IF (.NOT. my_matlab_format) WRITE (iunit, '(A,I6,",",I6,A,I7,A,I6,I6,"=",I7,A,E12.3)') &
+                     !" Checksum for (",br,bc,") at ",blk_p," size ",m,n,mn,&
+                     " Checksum for (", br, bc, ") at ", ablk_p, " size ", m, n, mn, &
+                     " checksum=", blk_cs
+                  IF (yesprint .AND. blk_p .NE. 0) THEN
+                     IF (mn .GT. 0) THEN
+                        SELECT CASE (matrix%data_type)
+                        CASE (dbcsr_type_real_8)
+                           !WRITE(iunit,'(10(1X,F7.2))')r_dp(blk_p:blk_p+mn-1)
+                           IF (my_matlab_format) THEN
+                              CALL dbcsr_printmat_matlab_d(r_dp(blk_p:blk_p + mn - 1), m, n, &
+                                                           row_blk_offset(br), col_blk_offset(bc), iunit, tr=tr, &
+                                                           variable_name=variable_name)
+                           ELSE
+                              CALL dbcsr_printmat(r_dp(blk_p:blk_p + mn - 1), m, n, iunit=iunit, tr=tr)
+                           END IF
+                        CASE (dbcsr_type_real_4)
+                           IF (my_matlab_format) THEN
+                              CALL dbcsr_printmat_matlab_s(r_sp(blk_p:blk_p + mn - 1), m, n, &
+                                                           row_blk_offset(br), col_blk_offset(bc), iunit, tr=tr, &
+                                                           variable_name=variable_name)
+                           ELSE
+                              CALL dbcsr_printmat(r_sp(blk_p:blk_p + mn - 1), m, n, iunit=iunit, tr=tr)
+                           END IF
+                        CASE (dbcsr_type_complex_8)
+                           IF (my_matlab_format) THEN
+                              CALL dbcsr_printmat_matlab_z(c_dp(blk_p:blk_p + mn - 1), m, n, &
+                                                           row_blk_offset(br), col_blk_offset(bc), iunit, tr=tr, &
+                                                           variable_name=variable_name)
+                           ELSE
+                              CALL dbcsr_printmat(c_dp(blk_p:blk_p + mn - 1), m, n, iunit=iunit, tr=tr)
+                           END IF
+                        CASE (dbcsr_type_complex_4)
+                           IF (my_matlab_format) THEN
+                              CALL dbcsr_printmat_matlab_c(c_sp(blk_p:blk_p + mn - 1), m, n, &
+                                                           row_blk_offset(br), col_blk_offset(bc), iunit, tr=tr, &
+                                                           variable_name=variable_name)
+                           ELSE
+                              CALL dbcsr_printmat(c_sp(blk_p:blk_p + mn - 1), m, n, iunit=iunit, tr=tr)
+                           END IF
+                        END SELECT
+                     END IF
+                  END IF
+               END IF block_exists
+            END DO
+         END DO
+      END IF
+      CALL timestop(handle)
    END SUBROUTINE dbcsr_print
    diff --git a/develop/proc/dbcsr_put_block2d_c.html b/develop/proc/dbcsr_put_block2d_c.html index 91e215abfcc..61bb6fb27ce 100644 --- a/develop/proc/dbcsr_put_block2d_c.html +++ b/develop/proc/dbcsr_put_block2d_c.html @@ -74,20 +74,20 @@

    dbcsr_put_block2d_c
  • 13 statements + title=" 0.0% of total for procedures.">8 statements
  • - Source File + Source File
    • @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, summation, scale)

    -

    Put a 2-D block in a DBCSR matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,59 +198,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -261,29 +227,13 @@

    Arguments

    - - - - - - - - @@ -293,7 +243,7 @@

    Arguments

    @@ -313,33 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block2d_c (matrix, row, col, block, lb_row_col, transposed, &
-                                                  summation, flop, scale)
-     !! Put a 2-D block in a DBCSR matrix
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_put_block2d_c (matrix, row, col, block, &
+                                                  summation, scale)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         COMPLEX(kind=real_4), DIMENSION(:, :), INTENT(IN), &
-            CONTIGUOUS, TARGET                    :: block
-        !! the block to put
-         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
-        !! the block is transposed
-        !! if block exists, then sum the new block to the old one instead of replacing it
-         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
+         COMPLEX(kind=real_4), DIMENSION(:, :), INTENT(IN)     :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: summation
          COMPLEX(kind=real_4), INTENT(IN), OPTIONAL            :: scale
-        !! scale the block being added
-
-         COMPLEX(kind=real_4), DIMENSION(:), POINTER           :: block_1d
-
-         NULLIFY (block_1d)
-
-         block_1d(1:SIZE(block)) => block
 
-         CALL dbcsr_put_block(matrix, row, col, block_1d, lb_row_col, transposed, summation, flop, scale)
+         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
       END SUBROUTINE dbcsr_put_block2d_c
 
    
 
diff --git a/develop/proc/dbcsr_put_block2d_c~2.html b/develop/proc/dbcsr_put_block2d_c~2.html
index 07500ad4dd3..36fe0c385a7 100644
--- a/develop/proc/dbcsr_put_block2d_c~2.html
+++ b/develop/proc/dbcsr_put_block2d_c~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block2d_c
 
             
  • 
               8 statements
+                 title=" 0.0% of total for procedures.">13 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    +

    Put a 2-D block in a DBCSR matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,27 +200,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -227,13 +261,29 @@

    Arguments

    + + + + + + + + @@ -243,7 +293,7 @@

    Arguments

    @@ -263,15 +313,33 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block2d_c (matrix, row, col, block, &
-                                                  summation, scale)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_put_block2d_c (matrix, row, col, block, lb_row_col, transposed, &
+                                                  summation, flop, scale)
+     !! Put a 2-D block in a DBCSR matrix
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         COMPLEX(kind=real_4), DIMENSION(:, :), INTENT(IN)     :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: summation
+        !! the row
+        !! the column
+         COMPLEX(kind=real_4), DIMENSION(:, :), INTENT(IN), &
+            CONTIGUOUS, TARGET                    :: block
+        !! the block to put
+         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
+        !! the block is transposed
+        !! if block exists, then sum the new block to the old one instead of replacing it
+         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
          COMPLEX(kind=real_4), INTENT(IN), OPTIONAL            :: scale
+        !! scale the block being added
+
+         COMPLEX(kind=real_4), DIMENSION(:), POINTER           :: block_1d
+
+         NULLIFY (block_1d)
+
+         block_1d(1:SIZE(block)) => block
 
-         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
+         CALL dbcsr_put_block(matrix, row, col, block_1d, lb_row_col, transposed, summation, flop, scale)
       END SUBROUTINE dbcsr_put_block2d_c
 
    
 
diff --git a/develop/proc/dbcsr_put_block2d_d.html b/develop/proc/dbcsr_put_block2d_d.html
index 2132ba86866..d0b72c693f1 100644
--- a/develop/proc/dbcsr_put_block2d_d.html
+++ b/develop/proc/dbcsr_put_block2d_d.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block2d_d
 
             
  • 
               13 statements
+                 title=" 0.0% of total for procedures.">8 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, summation, scale)

    -

    Put a 2-D block in a DBCSR matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,59 +198,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -261,29 +227,13 @@

    Arguments

    - - - - - - - - @@ -293,7 +243,7 @@

    Arguments

    @@ -313,33 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block2d_d (matrix, row, col, block, lb_row_col, transposed, &
-                                                  summation, flop, scale)
-     !! Put a 2-D block in a DBCSR matrix
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_put_block2d_d (matrix, row, col, block, &
+                                                  summation, scale)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         REAL(kind=real_8), DIMENSION(:, :), INTENT(IN), &
-            CONTIGUOUS, TARGET                    :: block
-        !! the block to put
-         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
-        !! the block is transposed
-        !! if block exists, then sum the new block to the old one instead of replacing it
-         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
+         REAL(kind=real_8), DIMENSION(:, :), INTENT(IN)     :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: summation
          REAL(kind=real_8), INTENT(IN), OPTIONAL            :: scale
-        !! scale the block being added
-
-         REAL(kind=real_8), DIMENSION(:), POINTER           :: block_1d
-
-         NULLIFY (block_1d)
-
-         block_1d(1:SIZE(block)) => block
 
-         CALL dbcsr_put_block(matrix, row, col, block_1d, lb_row_col, transposed, summation, flop, scale)
+         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
       END SUBROUTINE dbcsr_put_block2d_d
 
    
 
diff --git a/develop/proc/dbcsr_put_block2d_d~2.html b/develop/proc/dbcsr_put_block2d_d~2.html
index 74d72ef1cb9..7b69d8073cc 100644
--- a/develop/proc/dbcsr_put_block2d_d~2.html
+++ b/develop/proc/dbcsr_put_block2d_d~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block2d_d
 
             
  • 
               8 statements
+                 title=" 0.0% of total for procedures.">13 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    +

    Put a 2-D block in a DBCSR matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,27 +200,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -227,13 +261,29 @@

    Arguments

    + + + + + + + + @@ -243,7 +293,7 @@

    Arguments

    @@ -263,15 +313,33 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block2d_d (matrix, row, col, block, &
-                                                  summation, scale)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_put_block2d_d (matrix, row, col, block, lb_row_col, transposed, &
+                                                  summation, flop, scale)
+     !! Put a 2-D block in a DBCSR matrix
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         REAL(kind=real_8), DIMENSION(:, :), INTENT(IN)     :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: summation
+        !! the row
+        !! the column
+         REAL(kind=real_8), DIMENSION(:, :), INTENT(IN), &
+            CONTIGUOUS, TARGET                    :: block
+        !! the block to put
+         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
+        !! the block is transposed
+        !! if block exists, then sum the new block to the old one instead of replacing it
+         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
          REAL(kind=real_8), INTENT(IN), OPTIONAL            :: scale
+        !! scale the block being added
+
+         REAL(kind=real_8), DIMENSION(:), POINTER           :: block_1d
+
+         NULLIFY (block_1d)
+
+         block_1d(1:SIZE(block)) => block
 
-         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
+         CALL dbcsr_put_block(matrix, row, col, block_1d, lb_row_col, transposed, summation, flop, scale)
       END SUBROUTINE dbcsr_put_block2d_d
 
    
 
diff --git a/develop/proc/dbcsr_put_block2d_s.html b/develop/proc/dbcsr_put_block2d_s.html
index 662c05ee6cf..bbbea3b02b5 100644
--- a/develop/proc/dbcsr_put_block2d_s.html
+++ b/develop/proc/dbcsr_put_block2d_s.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block2d_s
 
             
  • 
               13 statements
+                 title=" 0.0% of total for procedures.">8 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, summation, scale)

    -

    Put a 2-D block in a DBCSR matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,59 +198,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -261,29 +227,13 @@

    Arguments

    - - - - - - - - @@ -293,7 +243,7 @@

    Arguments

    @@ -313,33 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block2d_s (matrix, row, col, block, lb_row_col, transposed, &
-                                                  summation, flop, scale)
-     !! Put a 2-D block in a DBCSR matrix
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_put_block2d_s (matrix, row, col, block, &
+                                                  summation, scale)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         REAL(kind=real_4), DIMENSION(:, :), INTENT(IN), &
-            CONTIGUOUS, TARGET                    :: block
-        !! the block to put
-         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
-        !! the block is transposed
-        !! if block exists, then sum the new block to the old one instead of replacing it
-         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
+         REAL(kind=real_4), DIMENSION(:, :), INTENT(IN)     :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: summation
          REAL(kind=real_4), INTENT(IN), OPTIONAL            :: scale
-        !! scale the block being added
-
-         REAL(kind=real_4), DIMENSION(:), POINTER           :: block_1d
-
-         NULLIFY (block_1d)
-
-         block_1d(1:SIZE(block)) => block
 
-         CALL dbcsr_put_block(matrix, row, col, block_1d, lb_row_col, transposed, summation, flop, scale)
+         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
       END SUBROUTINE dbcsr_put_block2d_s
 
    
 
diff --git a/develop/proc/dbcsr_put_block2d_s~2.html b/develop/proc/dbcsr_put_block2d_s~2.html
index 9a8940798b3..0c34e05bd2a 100644
--- a/develop/proc/dbcsr_put_block2d_s~2.html
+++ b/develop/proc/dbcsr_put_block2d_s~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block2d_s
 
             
  • 
               8 statements
+                 title=" 0.0% of total for procedures.">13 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    +

    Put a 2-D block in a DBCSR matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,27 +200,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -227,13 +261,29 @@

    Arguments

    + + + + + + + + @@ -243,7 +293,7 @@

    Arguments

    @@ -263,15 +313,33 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block2d_s (matrix, row, col, block, &
-                                                  summation, scale)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_put_block2d_s (matrix, row, col, block, lb_row_col, transposed, &
+                                                  summation, flop, scale)
+     !! Put a 2-D block in a DBCSR matrix
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         REAL(kind=real_4), DIMENSION(:, :), INTENT(IN)     :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: summation
+        !! the row
+        !! the column
+         REAL(kind=real_4), DIMENSION(:, :), INTENT(IN), &
+            CONTIGUOUS, TARGET                    :: block
+        !! the block to put
+         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
+        !! the block is transposed
+        !! if block exists, then sum the new block to the old one instead of replacing it
+         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
          REAL(kind=real_4), INTENT(IN), OPTIONAL            :: scale
+        !! scale the block being added
+
+         REAL(kind=real_4), DIMENSION(:), POINTER           :: block_1d
+
+         NULLIFY (block_1d)
+
+         block_1d(1:SIZE(block)) => block
 
-         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
+         CALL dbcsr_put_block(matrix, row, col, block_1d, lb_row_col, transposed, summation, flop, scale)
       END SUBROUTINE dbcsr_put_block2d_s
 
    
 
diff --git a/develop/proc/dbcsr_put_block2d_z.html b/develop/proc/dbcsr_put_block2d_z.html
index 7034da503e4..0261b0ab64f 100644
--- a/develop/proc/dbcsr_put_block2d_z.html
+++ b/develop/proc/dbcsr_put_block2d_z.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block2d_z
 
             
  • 
               13 statements
+                 title=" 0.0% of total for procedures.">8 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,11 +139,10 @@

    Contents

    -

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, summation, scale)

    -

    Put a 2-D block in a DBCSR matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,59 +198,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -261,29 +227,13 @@

    Arguments

    - - - - - - - - @@ -293,7 +243,7 @@

    Arguments

    @@ -313,33 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block2d_z (matrix, row, col, block, lb_row_col, transposed, &
-                                                  summation, flop, scale)
-     !! Put a 2-D block in a DBCSR matrix
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_put_block2d_z (matrix, row, col, block, &
+                                                  summation, scale)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         COMPLEX(kind=real_8), DIMENSION(:, :), INTENT(IN), &
-            CONTIGUOUS, TARGET                    :: block
-        !! the block to put
-         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
-        !! the block is transposed
-        !! if block exists, then sum the new block to the old one instead of replacing it
-         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
+         COMPLEX(kind=real_8), DIMENSION(:, :), INTENT(IN)     :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: summation
          COMPLEX(kind=real_8), INTENT(IN), OPTIONAL            :: scale
-        !! scale the block being added
-
-         COMPLEX(kind=real_8), DIMENSION(:), POINTER           :: block_1d
-
-         NULLIFY (block_1d)
-
-         block_1d(1:SIZE(block)) => block
 
-         CALL dbcsr_put_block(matrix, row, col, block_1d, lb_row_col, transposed, summation, flop, scale)
+         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
       END SUBROUTINE dbcsr_put_block2d_z
 
    
 
diff --git a/develop/proc/dbcsr_put_block2d_z~2.html b/develop/proc/dbcsr_put_block2d_z~2.html
index eec84b76ac8..272f7007bae 100644
--- a/develop/proc/dbcsr_put_block2d_z~2.html
+++ b/develop/proc/dbcsr_put_block2d_z~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block2d_z
 
             
  • 
               8 statements
+                 title=" 0.0% of total for procedures.">13 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,11 @@

    Contents

    -

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    +

    Put a 2-D block in a DBCSR matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,27 +200,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -227,13 +261,29 @@

    Arguments

    + + + + + + + + @@ -243,7 +293,7 @@

    Arguments

    @@ -263,15 +313,33 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block2d_z (matrix, row, col, block, &
-                                                  summation, scale)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_put_block2d_z (matrix, row, col, block, lb_row_col, transposed, &
+                                                  summation, flop, scale)
+     !! Put a 2-D block in a DBCSR matrix
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         COMPLEX(kind=real_8), DIMENSION(:, :), INTENT(IN)     :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: summation
+        !! the row
+        !! the column
+         COMPLEX(kind=real_8), DIMENSION(:, :), INTENT(IN), &
+            CONTIGUOUS, TARGET                    :: block
+        !! the block to put
+         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
+        !! the block is transposed
+        !! if block exists, then sum the new block to the old one instead of replacing it
+         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
          COMPLEX(kind=real_8), INTENT(IN), OPTIONAL            :: scale
+        !! scale the block being added
+
+         COMPLEX(kind=real_8), DIMENSION(:), POINTER           :: block_1d
+
+         NULLIFY (block_1d)
+
+         block_1d(1:SIZE(block)) => block
 
-         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
+         CALL dbcsr_put_block(matrix, row, col, block_1d, lb_row_col, transposed, summation, flop, scale)
       END SUBROUTINE dbcsr_put_block2d_z
 
    
 
diff --git a/develop/proc/dbcsr_put_block_area.html b/develop/proc/dbcsr_put_block_area.html
index bdc591d019d..77d1f21952f 100644
--- a/develop/proc/dbcsr_put_block_area.html
+++ b/develop/proc/dbcsr_put_block_area.html
@@ -162,7 +162,7 @@ 
    Arguments
    @@ -177,7 +177,7 @@

    Arguments

    @@ -192,7 +192,7 @@

    Arguments

    @@ -207,7 +207,7 @@

    Arguments

    @@ -237,7 +237,7 @@

    Arguments

    @@ -252,7 +252,7 @@

    Arguments

    @@ -267,7 +267,7 @@

    Arguments

    @@ -282,7 +282,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_put_block_c.html b/develop/proc/dbcsr_put_block_c.html index 68c15057a47..15c38fa3119 100644 --- a/develop/proc/dbcsr_put_block_c.html +++ b/develop/proc/dbcsr_put_block_c.html @@ -74,20 +74,20 @@

    dbcsr_put_block_c
  • 109 statements + title=" 0.0% of total for procedures.">8 statements
  • - Source File + Source File
    • @@ -139,13 +139,10 @@

    Contents

    -

    private subroutine dbcsr_put_block_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_c(matrix, row, col, block, summation, scale)

    -

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    -

    @@@

    Arguments

    @@ -161,8 +158,8 @@

    Arguments

    @@ -186,13 +183,12 @@

    Arguments

    @@ -202,59 +198,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -263,29 +227,13 @@

    Arguments

    - - - - - - - - @@ -295,7 +243,7 @@

    Arguments

    @@ -315,167 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block_c (matrix, row, col, block, lb_row_col, transposed, &
-                                                summation, flop, scale)
-     !! Inserts a block in a dbcsr matrix.
-     !! If the block exists, the current data is overwritten.
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_put_block_c (matrix, row, col, block, &
+                                                summation, scale)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the logical row
-        !! the logical column
-         COMPLEX(kind=real_4), DIMENSION(:), CONTIGUOUS, INTENT(IN) :: block
-        !! the block to put
-         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
-        !! the block is transposed
-        !! if block exists, then sum the new block to the old one instead of replacing it
-         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
+         COMPLEX(kind=real_4), DIMENSION(:), INTENT(IN)        :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: summation
          COMPLEX(kind=real_4), INTENT(IN), OPTIONAL            :: scale
-        !! scale the OBblock being added
-
-         TYPE(btree_data_cp2d)          :: data_block, data_block2
-         INTEGER                                  :: blk, col_size, &
-                                                     nze, offset, &
-                                                     row_size, blk_p, &
-                                                     stored_row, stored_col, &
-                                                     iw, nwms
-         LOGICAL                                  :: found, tr, do_sum, tr_diff
-         COMPLEX(kind=real_4), DIMENSION(:), POINTER         :: block_1d
-         INTEGER(KIND=int_8)                      :: my_flop
-
-!   ---------------------------------------------------------------------------
-         IF (PRESENT(transposed)) THEN
-            tr = transposed
-         ELSE
-            tr = .FALSE.
-         END IF
-         IF (PRESENT(summation)) THEN
-            do_sum = summation
-         ELSE
-            do_sum = .FALSE.
-         END IF
-         my_flop = 0
-         row_size = dbcsr_blk_row_size(matrix, row)
-         col_size = dbcsr_blk_column_size(matrix, col)
-         IF (tr) CALL swap(row_size, col_size)
 
-         stored_row = row; stored_col = col
-         nze = row_size*col_size
-         !
-         IF (debug_mod .AND. SIZE(block) < nze) &
-            DBCSR_ABORT("Invalid block dimensions")
-         CALL dbcsr_get_stored_block_info(matrix, stored_row, stored_col, &
-                                          found, blk, lb_row_col, offset)
-         IF (found) THEN
-            ! let's copy the block
-            offset = ABS(offset)
-            ! Fix the index if the new block's transpose flag is different
-            ! from the old one.
-            tr_diff = .FALSE.
-            IF (matrix%blk_p(blk) .LT. 0 .NEQV. tr) THEN
-               tr_diff = .TRUE.
-               matrix%blk_p(blk) = -matrix%blk_p(blk)
-            END IF
-            block_1d => pointer_view(dbcsr_get_data_p( &
-                                     matrix%data_area, CMPLX(0.0, 0.0, real_4)), offset, offset + nze - 1)
-            IF (nze .GT. 0) THEN
-               IF (do_sum) THEN
-                  IF (tr_diff) &
-                     block_1d = RESHAPE(TRANSPOSE(RESHAPE(block_1d, (/col_size, row_size/))), (/nze/))
-                  IF (PRESENT(scale)) THEN
-                     CALL caxpy(nze, scale, block(1:nze), 1, &
-                                            block_1d, 1)
-                  ELSE
-                     CALL caxpy(nze, CMPLX(1.0, 0.0, real_4), block(1:nze), 1, &
-                                            block_1d, 1)
-                  END IF
-                  my_flop = my_flop + nze*2
-               ELSE
-                  IF (PRESENT(scale)) THEN
-                     CALL ccopy(nze, scale*block(1:nze), 1, &
-                                            block_1d, 1)
-                  ELSE
-                     CALL ccopy(nze, block(1:nze), 1, &
-                                            block_1d, 1)
-                  END IF
-               END IF
-            END IF
-         ELSE
-        !!@@@
-            !call dbcsr_assert (associated (matrix%wms), dbcsr_fatal_level,&
-            !     dbcsr_caller_error, routineN, "Work matrices not prepared")
-            IF (.NOT. ASSOCIATED(matrix%wms)) THEN
-               CALL dbcsr_work_create(matrix, nblks_guess=1, &
-                                      sizedata_guess=nze)
-            END IF
-            nwms = SIZE(matrix%wms)
-            iw = 1
-!$          IF (debug_mod .AND. nwms < omp_get_num_threads()) &
-!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$          iw = omp_get_thread_num() + 1
-            blk_p = matrix%wms(iw)%datasize + 1
-            IF (.NOT. dbcsr_wm_use_mutable(matrix%wms(iw))) THEN
-               IF (tr) blk_p = -blk_p
-               CALL add_work_coordinate(matrix%wms(iw), row, col, blk_p)
-               CALL dbcsr_data_ensure_size(matrix%wms(iw)%data_area, &
-                                           matrix%wms(iw)%datasize + nze, &
-                                           factor=default_resize_factor)
-               IF (PRESENT(scale)) THEN
-                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
-                                      data_size=nze, src=scale*block, source_lb=1)
-               ELSE
-                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
-                                      data_size=nze, src=block, source_lb=1)
-               END IF
-            ELSE
-               ALLOCATE (data_block%p(row_size, col_size))
-               IF (PRESENT(scale)) THEN
-                  data_block%p(:, :) = scale*RESHAPE(block, (/row_size, col_size/))
-               ELSE
-                  data_block%p(:, :) = RESHAPE(block, (/row_size, col_size/))
-               END IF
-               data_block%tr = tr
-               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
-                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
-                                         dbcsr_get_data_type(matrix))
-               END IF
-               IF (.NOT. do_sum) THEN
-                  CALL btree_add( &
-                     matrix%wms(iw)%mutable%m%btree_c, &
-                     make_coordinate_tuple(stored_row, stored_col), &
-                     data_block, found, data_block2, replace=.TRUE.)
-                  IF (found) THEN
-                     IF (.NOT. ASSOCIATED(data_block2%p)) &
-                        DBCSR_WARN("Data was not present in block")
-                     IF (ASSOCIATED(data_block2%p)) DEALLOCATE (data_block2%p)
-                  END IF
-               ELSE
-                  CALL btree_add( &
-                     matrix%wms(iw)%mutable%m%btree_c, &
-                     make_coordinate_tuple(stored_row, stored_col), &
-                     data_block, found, data_block2, replace=.FALSE.)
-                  IF (found) THEN
-                     IF (nze > 0) &
-                        CALL caxpy(nze, CMPLX(1.0, 0.0, real_4), block, 1, &
-                                               data_block2%p, 1)
-                     IF (.NOT. ASSOCIATED(data_block%p)) &
-                        DBCSR_WARN("Data was not present in block")
-                     IF (ASSOCIATED(data_block%p)) DEALLOCATE (data_block%p)
-                  END IF
-               END IF
-               IF (.NOT. found) THEN
-                  matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
-               END IF
-            END IF
-            IF (.NOT. found) THEN
-               matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + nze
-            END IF
-!$OMP ATOMIC WRITE
-            matrix%valid = .FALSE.
-         END IF
-         IF (PRESENT(flop)) flop = flop + my_flop
+         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
       END SUBROUTINE dbcsr_put_block_c
 
    
 
diff --git a/develop/proc/dbcsr_put_block_c~2.html b/develop/proc/dbcsr_put_block_c~2.html
index ecebeeb5414..a8f23310f9c 100644
--- a/develop/proc/dbcsr_put_block_c~2.html
+++ b/develop/proc/dbcsr_put_block_c~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block_c
 
             
  • 
               8 statements
+                 title=" 0.2% of total for procedures.">109 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,13 @@

    Contents

    -

    private subroutine dbcsr_put_block_c(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    +

    Inserts a block in a dbcsr matrix. + If the block exists, the current data is overwritten.

    +

    @@@

    Arguments

    @@ -158,8 +161,8 @@

    Arguments

    @@ -183,12 +186,13 @@

    Arguments

    @@ -198,27 +202,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -227,13 +263,29 @@

    Arguments

    + + + + + + + + @@ -243,7 +295,7 @@

    Arguments

    @@ -263,15 +315,167 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block_c (matrix, row, col, block, &
-                                                summation, scale)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_put_block_c (matrix, row, col, block, lb_row_col, transposed, &
+                                                summation, flop, scale)
+     !! Inserts a block in a dbcsr matrix.
+     !! If the block exists, the current data is overwritten.
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         COMPLEX(kind=real_4), DIMENSION(:), INTENT(IN)        :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: summation
+        !! the logical row
+        !! the logical column
+         COMPLEX(kind=real_4), DIMENSION(:), CONTIGUOUS, INTENT(IN) :: block
+        !! the block to put
+         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
+        !! the block is transposed
+        !! if block exists, then sum the new block to the old one instead of replacing it
+         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
          COMPLEX(kind=real_4), INTENT(IN), OPTIONAL            :: scale
+        !! scale the OBblock being added
+
+         TYPE(btree_data_cp2d)          :: data_block, data_block2
+         INTEGER                                  :: blk, col_size, &
+                                                     nze, offset, &
+                                                     row_size, blk_p, &
+                                                     stored_row, stored_col, &
+                                                     iw, nwms
+         LOGICAL                                  :: found, tr, do_sum, tr_diff
+         COMPLEX(kind=real_4), DIMENSION(:), POINTER         :: block_1d
+         INTEGER(KIND=int_8)                      :: my_flop
+
+!   ---------------------------------------------------------------------------
+         IF (PRESENT(transposed)) THEN
+            tr = transposed
+         ELSE
+            tr = .FALSE.
+         END IF
+         IF (PRESENT(summation)) THEN
+            do_sum = summation
+         ELSE
+            do_sum = .FALSE.
+         END IF
+         my_flop = 0
+         row_size = dbcsr_blk_row_size(matrix, row)
+         col_size = dbcsr_blk_column_size(matrix, col)
+         IF (tr) CALL swap(row_size, col_size)
 
-         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
+         stored_row = row; stored_col = col
+         nze = row_size*col_size
+         !
+         IF (debug_mod .AND. SIZE(block) < nze) &
+            DBCSR_ABORT("Invalid block dimensions")
+         CALL dbcsr_get_stored_block_info(matrix, stored_row, stored_col, &
+                                          found, blk, lb_row_col, offset)
+         IF (found) THEN
+            ! let's copy the block
+            offset = ABS(offset)
+            ! Fix the index if the new block's transpose flag is different
+            ! from the old one.
+            tr_diff = .FALSE.
+            IF (matrix%blk_p(blk) .LT. 0 .NEQV. tr) THEN
+               tr_diff = .TRUE.
+               matrix%blk_p(blk) = -matrix%blk_p(blk)
+            END IF
+            block_1d => pointer_view(dbcsr_get_data_p( &
+                                     matrix%data_area, CMPLX(0.0, 0.0, real_4)), offset, offset + nze - 1)
+            IF (nze .GT. 0) THEN
+               IF (do_sum) THEN
+                  IF (tr_diff) &
+                     block_1d = RESHAPE(TRANSPOSE(RESHAPE(block_1d, (/col_size, row_size/))), (/nze/))
+                  IF (PRESENT(scale)) THEN
+                     CALL caxpy(nze, scale, block(1:nze), 1, &
+                                            block_1d, 1)
+                  ELSE
+                     CALL caxpy(nze, CMPLX(1.0, 0.0, real_4), block(1:nze), 1, &
+                                            block_1d, 1)
+                  END IF
+                  my_flop = my_flop + nze*2
+               ELSE
+                  IF (PRESENT(scale)) THEN
+                     CALL ccopy(nze, scale*block(1:nze), 1, &
+                                            block_1d, 1)
+                  ELSE
+                     CALL ccopy(nze, block(1:nze), 1, &
+                                            block_1d, 1)
+                  END IF
+               END IF
+            END IF
+         ELSE
+        !!@@@
+            !call dbcsr_assert (associated (matrix%wms), dbcsr_fatal_level,&
+            !     dbcsr_caller_error, routineN, "Work matrices not prepared")
+            IF (.NOT. ASSOCIATED(matrix%wms)) THEN
+               CALL dbcsr_work_create(matrix, nblks_guess=1, &
+                                      sizedata_guess=nze)
+            END IF
+            nwms = SIZE(matrix%wms)
+            iw = 1
+!$          IF (debug_mod .AND. nwms < omp_get_num_threads()) &
+!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$          iw = omp_get_thread_num() + 1
+            blk_p = matrix%wms(iw)%datasize + 1
+            IF (.NOT. dbcsr_wm_use_mutable(matrix%wms(iw))) THEN
+               IF (tr) blk_p = -blk_p
+               CALL add_work_coordinate(matrix%wms(iw), row, col, blk_p)
+               CALL dbcsr_data_ensure_size(matrix%wms(iw)%data_area, &
+                                           matrix%wms(iw)%datasize + nze, &
+                                           factor=default_resize_factor)
+               IF (PRESENT(scale)) THEN
+                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
+                                      data_size=nze, src=scale*block, source_lb=1)
+               ELSE
+                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
+                                      data_size=nze, src=block, source_lb=1)
+               END IF
+            ELSE
+               ALLOCATE (data_block%p(row_size, col_size))
+               IF (PRESENT(scale)) THEN
+                  data_block%p(:, :) = scale*RESHAPE(block, (/row_size, col_size/))
+               ELSE
+                  data_block%p(:, :) = RESHAPE(block, (/row_size, col_size/))
+               END IF
+               data_block%tr = tr
+               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
+                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
+                                         dbcsr_get_data_type(matrix))
+               END IF
+               IF (.NOT. do_sum) THEN
+                  CALL btree_add( &
+                     matrix%wms(iw)%mutable%m%btree_c, &
+                     make_coordinate_tuple(stored_row, stored_col), &
+                     data_block, found, data_block2, replace=.TRUE.)
+                  IF (found) THEN
+                     IF (.NOT. ASSOCIATED(data_block2%p)) &
+                        DBCSR_WARN("Data was not present in block")
+                     IF (ASSOCIATED(data_block2%p)) DEALLOCATE (data_block2%p)
+                  END IF
+               ELSE
+                  CALL btree_add( &
+                     matrix%wms(iw)%mutable%m%btree_c, &
+                     make_coordinate_tuple(stored_row, stored_col), &
+                     data_block, found, data_block2, replace=.FALSE.)
+                  IF (found) THEN
+                     IF (nze > 0) &
+                        CALL caxpy(nze, CMPLX(1.0, 0.0, real_4), block, 1, &
+                                               data_block2%p, 1)
+                     IF (.NOT. ASSOCIATED(data_block%p)) &
+                        DBCSR_WARN("Data was not present in block")
+                     IF (ASSOCIATED(data_block%p)) DEALLOCATE (data_block%p)
+                  END IF
+               END IF
+               IF (.NOT. found) THEN
+                  matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
+               END IF
+            END IF
+            IF (.NOT. found) THEN
+               matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + nze
+            END IF
+!$OMP ATOMIC WRITE
+            matrix%valid = .FALSE.
+         END IF
+         IF (PRESENT(flop)) flop = flop + my_flop
       END SUBROUTINE dbcsr_put_block_c
 
    
 
diff --git a/develop/proc/dbcsr_put_block_d.html b/develop/proc/dbcsr_put_block_d.html
index cde0fe85afb..db29a54e82d 100644
--- a/develop/proc/dbcsr_put_block_d.html
+++ b/develop/proc/dbcsr_put_block_d.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block_d
 
             
  • 
               109 statements
+                 title=" 0.0% of total for procedures.">8 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,13 +139,10 @@

    Contents

    -

    private subroutine dbcsr_put_block_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_d(matrix, row, col, block, summation, scale)

    -

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    -

    @@@

    Arguments

    @@ -161,8 +158,8 @@

    Arguments

    @@ -186,13 +183,12 @@

    Arguments

    @@ -202,59 +198,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -263,29 +227,13 @@

    Arguments

    - - - - - - - - @@ -295,7 +243,7 @@

    Arguments

    @@ -315,167 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block_d (matrix, row, col, block, lb_row_col, transposed, &
-                                                summation, flop, scale)
-     !! Inserts a block in a dbcsr matrix.
-     !! If the block exists, the current data is overwritten.
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_put_block_d (matrix, row, col, block, &
+                                                summation, scale)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the logical row
-        !! the logical column
-         REAL(kind=real_8), DIMENSION(:), CONTIGUOUS, INTENT(IN) :: block
-        !! the block to put
-         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
-        !! the block is transposed
-        !! if block exists, then sum the new block to the old one instead of replacing it
-         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
+         REAL(kind=real_8), DIMENSION(:), INTENT(IN)        :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: summation
          REAL(kind=real_8), INTENT(IN), OPTIONAL            :: scale
-        !! scale the OBblock being added
-
-         TYPE(btree_data_dp2d)          :: data_block, data_block2
-         INTEGER                                  :: blk, col_size, &
-                                                     nze, offset, &
-                                                     row_size, blk_p, &
-                                                     stored_row, stored_col, &
-                                                     iw, nwms
-         LOGICAL                                  :: found, tr, do_sum, tr_diff
-         REAL(kind=real_8), DIMENSION(:), POINTER         :: block_1d
-         INTEGER(KIND=int_8)                      :: my_flop
-
-!   ---------------------------------------------------------------------------
-         IF (PRESENT(transposed)) THEN
-            tr = transposed
-         ELSE
-            tr = .FALSE.
-         END IF
-         IF (PRESENT(summation)) THEN
-            do_sum = summation
-         ELSE
-            do_sum = .FALSE.
-         END IF
-         my_flop = 0
-         row_size = dbcsr_blk_row_size(matrix, row)
-         col_size = dbcsr_blk_column_size(matrix, col)
-         IF (tr) CALL swap(row_size, col_size)
 
-         stored_row = row; stored_col = col
-         nze = row_size*col_size
-         !
-         IF (debug_mod .AND. SIZE(block) < nze) &
-            DBCSR_ABORT("Invalid block dimensions")
-         CALL dbcsr_get_stored_block_info(matrix, stored_row, stored_col, &
-                                          found, blk, lb_row_col, offset)
-         IF (found) THEN
-            ! let's copy the block
-            offset = ABS(offset)
-            ! Fix the index if the new block's transpose flag is different
-            ! from the old one.
-            tr_diff = .FALSE.
-            IF (matrix%blk_p(blk) .LT. 0 .NEQV. tr) THEN
-               tr_diff = .TRUE.
-               matrix%blk_p(blk) = -matrix%blk_p(blk)
-            END IF
-            block_1d => pointer_view(dbcsr_get_data_p( &
-                                     matrix%data_area, 0.0_real_8), offset, offset + nze - 1)
-            IF (nze .GT. 0) THEN
-               IF (do_sum) THEN
-                  IF (tr_diff) &
-                     block_1d = RESHAPE(TRANSPOSE(RESHAPE(block_1d, (/col_size, row_size/))), (/nze/))
-                  IF (PRESENT(scale)) THEN
-                     CALL daxpy(nze, scale, block(1:nze), 1, &
-                                            block_1d, 1)
-                  ELSE
-                     CALL daxpy(nze, 1.0_real_8, block(1:nze), 1, &
-                                            block_1d, 1)
-                  END IF
-                  my_flop = my_flop + nze*2
-               ELSE
-                  IF (PRESENT(scale)) THEN
-                     CALL dcopy(nze, scale*block(1:nze), 1, &
-                                            block_1d, 1)
-                  ELSE
-                     CALL dcopy(nze, block(1:nze), 1, &
-                                            block_1d, 1)
-                  END IF
-               END IF
-            END IF
-         ELSE
-        !!@@@
-            !call dbcsr_assert (associated (matrix%wms), dbcsr_fatal_level,&
-            !     dbcsr_caller_error, routineN, "Work matrices not prepared")
-            IF (.NOT. ASSOCIATED(matrix%wms)) THEN
-               CALL dbcsr_work_create(matrix, nblks_guess=1, &
-                                      sizedata_guess=nze)
-            END IF
-            nwms = SIZE(matrix%wms)
-            iw = 1
-!$          IF (debug_mod .AND. nwms < omp_get_num_threads()) &
-!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$          iw = omp_get_thread_num() + 1
-            blk_p = matrix%wms(iw)%datasize + 1
-            IF (.NOT. dbcsr_wm_use_mutable(matrix%wms(iw))) THEN
-               IF (tr) blk_p = -blk_p
-               CALL add_work_coordinate(matrix%wms(iw), row, col, blk_p)
-               CALL dbcsr_data_ensure_size(matrix%wms(iw)%data_area, &
-                                           matrix%wms(iw)%datasize + nze, &
-                                           factor=default_resize_factor)
-               IF (PRESENT(scale)) THEN
-                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
-                                      data_size=nze, src=scale*block, source_lb=1)
-               ELSE
-                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
-                                      data_size=nze, src=block, source_lb=1)
-               END IF
-            ELSE
-               ALLOCATE (data_block%p(row_size, col_size))
-               IF (PRESENT(scale)) THEN
-                  data_block%p(:, :) = scale*RESHAPE(block, (/row_size, col_size/))
-               ELSE
-                  data_block%p(:, :) = RESHAPE(block, (/row_size, col_size/))
-               END IF
-               data_block%tr = tr
-               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
-                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
-                                         dbcsr_get_data_type(matrix))
-               END IF
-               IF (.NOT. do_sum) THEN
-                  CALL btree_add( &
-                     matrix%wms(iw)%mutable%m%btree_d, &
-                     make_coordinate_tuple(stored_row, stored_col), &
-                     data_block, found, data_block2, replace=.TRUE.)
-                  IF (found) THEN
-                     IF (.NOT. ASSOCIATED(data_block2%p)) &
-                        DBCSR_WARN("Data was not present in block")
-                     IF (ASSOCIATED(data_block2%p)) DEALLOCATE (data_block2%p)
-                  END IF
-               ELSE
-                  CALL btree_add( &
-                     matrix%wms(iw)%mutable%m%btree_d, &
-                     make_coordinate_tuple(stored_row, stored_col), &
-                     data_block, found, data_block2, replace=.FALSE.)
-                  IF (found) THEN
-                     IF (nze > 0) &
-                        CALL daxpy(nze, 1.0_real_8, block, 1, &
-                                               data_block2%p, 1)
-                     IF (.NOT. ASSOCIATED(data_block%p)) &
-                        DBCSR_WARN("Data was not present in block")
-                     IF (ASSOCIATED(data_block%p)) DEALLOCATE (data_block%p)
-                  END IF
-               END IF
-               IF (.NOT. found) THEN
-                  matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
-               END IF
-            END IF
-            IF (.NOT. found) THEN
-               matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + nze
-            END IF
-!$OMP ATOMIC WRITE
-            matrix%valid = .FALSE.
-         END IF
-         IF (PRESENT(flop)) flop = flop + my_flop
+         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
       END SUBROUTINE dbcsr_put_block_d
 
    
 
diff --git a/develop/proc/dbcsr_put_block_d~2.html b/develop/proc/dbcsr_put_block_d~2.html
index ccad58a5a44..b80badd0ba3 100644
--- a/develop/proc/dbcsr_put_block_d~2.html
+++ b/develop/proc/dbcsr_put_block_d~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block_d
 
             
  • 
               8 statements
+                 title=" 0.2% of total for procedures.">109 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,13 @@

    Contents

    -

    private subroutine dbcsr_put_block_d(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    +

    Inserts a block in a dbcsr matrix. + If the block exists, the current data is overwritten.

    +

    @@@

    Arguments

    @@ -158,8 +161,8 @@

    Arguments

    @@ -183,12 +186,13 @@

    Arguments

    @@ -198,27 +202,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -227,13 +263,29 @@

    Arguments

    + + + + + + + + @@ -243,7 +295,7 @@

    Arguments

    @@ -263,15 +315,167 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block_d (matrix, row, col, block, &
-                                                summation, scale)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_put_block_d (matrix, row, col, block, lb_row_col, transposed, &
+                                                summation, flop, scale)
+     !! Inserts a block in a dbcsr matrix.
+     !! If the block exists, the current data is overwritten.
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         REAL(kind=real_8), DIMENSION(:), INTENT(IN)        :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: summation
+        !! the logical row
+        !! the logical column
+         REAL(kind=real_8), DIMENSION(:), CONTIGUOUS, INTENT(IN) :: block
+        !! the block to put
+         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
+        !! the block is transposed
+        !! if block exists, then sum the new block to the old one instead of replacing it
+         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
          REAL(kind=real_8), INTENT(IN), OPTIONAL            :: scale
+        !! scale the OBblock being added
+
+         TYPE(btree_data_dp2d)          :: data_block, data_block2
+         INTEGER                                  :: blk, col_size, &
+                                                     nze, offset, &
+                                                     row_size, blk_p, &
+                                                     stored_row, stored_col, &
+                                                     iw, nwms
+         LOGICAL                                  :: found, tr, do_sum, tr_diff
+         REAL(kind=real_8), DIMENSION(:), POINTER         :: block_1d
+         INTEGER(KIND=int_8)                      :: my_flop
+
+!   ---------------------------------------------------------------------------
+         IF (PRESENT(transposed)) THEN
+            tr = transposed
+         ELSE
+            tr = .FALSE.
+         END IF
+         IF (PRESENT(summation)) THEN
+            do_sum = summation
+         ELSE
+            do_sum = .FALSE.
+         END IF
+         my_flop = 0
+         row_size = dbcsr_blk_row_size(matrix, row)
+         col_size = dbcsr_blk_column_size(matrix, col)
+         IF (tr) CALL swap(row_size, col_size)
 
-         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
+         stored_row = row; stored_col = col
+         nze = row_size*col_size
+         !
+         IF (debug_mod .AND. SIZE(block) < nze) &
+            DBCSR_ABORT("Invalid block dimensions")
+         CALL dbcsr_get_stored_block_info(matrix, stored_row, stored_col, &
+                                          found, blk, lb_row_col, offset)
+         IF (found) THEN
+            ! let's copy the block
+            offset = ABS(offset)
+            ! Fix the index if the new block's transpose flag is different
+            ! from the old one.
+            tr_diff = .FALSE.
+            IF (matrix%blk_p(blk) .LT. 0 .NEQV. tr) THEN
+               tr_diff = .TRUE.
+               matrix%blk_p(blk) = -matrix%blk_p(blk)
+            END IF
+            block_1d => pointer_view(dbcsr_get_data_p( &
+                                     matrix%data_area, 0.0_real_8), offset, offset + nze - 1)
+            IF (nze .GT. 0) THEN
+               IF (do_sum) THEN
+                  IF (tr_diff) &
+                     block_1d = RESHAPE(TRANSPOSE(RESHAPE(block_1d, (/col_size, row_size/))), (/nze/))
+                  IF (PRESENT(scale)) THEN
+                     CALL daxpy(nze, scale, block(1:nze), 1, &
+                                            block_1d, 1)
+                  ELSE
+                     CALL daxpy(nze, 1.0_real_8, block(1:nze), 1, &
+                                            block_1d, 1)
+                  END IF
+                  my_flop = my_flop + nze*2
+               ELSE
+                  IF (PRESENT(scale)) THEN
+                     CALL dcopy(nze, scale*block(1:nze), 1, &
+                                            block_1d, 1)
+                  ELSE
+                     CALL dcopy(nze, block(1:nze), 1, &
+                                            block_1d, 1)
+                  END IF
+               END IF
+            END IF
+         ELSE
+        !!@@@
+            !call dbcsr_assert (associated (matrix%wms), dbcsr_fatal_level,&
+            !     dbcsr_caller_error, routineN, "Work matrices not prepared")
+            IF (.NOT. ASSOCIATED(matrix%wms)) THEN
+               CALL dbcsr_work_create(matrix, nblks_guess=1, &
+                                      sizedata_guess=nze)
+            END IF
+            nwms = SIZE(matrix%wms)
+            iw = 1
+!$          IF (debug_mod .AND. nwms < omp_get_num_threads()) &
+!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$          iw = omp_get_thread_num() + 1
+            blk_p = matrix%wms(iw)%datasize + 1
+            IF (.NOT. dbcsr_wm_use_mutable(matrix%wms(iw))) THEN
+               IF (tr) blk_p = -blk_p
+               CALL add_work_coordinate(matrix%wms(iw), row, col, blk_p)
+               CALL dbcsr_data_ensure_size(matrix%wms(iw)%data_area, &
+                                           matrix%wms(iw)%datasize + nze, &
+                                           factor=default_resize_factor)
+               IF (PRESENT(scale)) THEN
+                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
+                                      data_size=nze, src=scale*block, source_lb=1)
+               ELSE
+                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
+                                      data_size=nze, src=block, source_lb=1)
+               END IF
+            ELSE
+               ALLOCATE (data_block%p(row_size, col_size))
+               IF (PRESENT(scale)) THEN
+                  data_block%p(:, :) = scale*RESHAPE(block, (/row_size, col_size/))
+               ELSE
+                  data_block%p(:, :) = RESHAPE(block, (/row_size, col_size/))
+               END IF
+               data_block%tr = tr
+               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
+                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
+                                         dbcsr_get_data_type(matrix))
+               END IF
+               IF (.NOT. do_sum) THEN
+                  CALL btree_add( &
+                     matrix%wms(iw)%mutable%m%btree_d, &
+                     make_coordinate_tuple(stored_row, stored_col), &
+                     data_block, found, data_block2, replace=.TRUE.)
+                  IF (found) THEN
+                     IF (.NOT. ASSOCIATED(data_block2%p)) &
+                        DBCSR_WARN("Data was not present in block")
+                     IF (ASSOCIATED(data_block2%p)) DEALLOCATE (data_block2%p)
+                  END IF
+               ELSE
+                  CALL btree_add( &
+                     matrix%wms(iw)%mutable%m%btree_d, &
+                     make_coordinate_tuple(stored_row, stored_col), &
+                     data_block, found, data_block2, replace=.FALSE.)
+                  IF (found) THEN
+                     IF (nze > 0) &
+                        CALL daxpy(nze, 1.0_real_8, block, 1, &
+                                               data_block2%p, 1)
+                     IF (.NOT. ASSOCIATED(data_block%p)) &
+                        DBCSR_WARN("Data was not present in block")
+                     IF (ASSOCIATED(data_block%p)) DEALLOCATE (data_block%p)
+                  END IF
+               END IF
+               IF (.NOT. found) THEN
+                  matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
+               END IF
+            END IF
+            IF (.NOT. found) THEN
+               matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + nze
+            END IF
+!$OMP ATOMIC WRITE
+            matrix%valid = .FALSE.
+         END IF
+         IF (PRESENT(flop)) flop = flop + my_flop
       END SUBROUTINE dbcsr_put_block_d
 
    
 
diff --git a/develop/proc/dbcsr_put_block_s.html b/develop/proc/dbcsr_put_block_s.html
index 04c039e96f1..691e272061f 100644
--- a/develop/proc/dbcsr_put_block_s.html
+++ b/develop/proc/dbcsr_put_block_s.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block_s
 
             
  • 
               109 statements
+                 title=" 0.0% of total for procedures.">8 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,13 +139,10 @@

    Contents

    -

    private subroutine dbcsr_put_block_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_s(matrix, row, col, block, summation, scale)

    -

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    -

    @@@

    Arguments

    @@ -161,8 +158,8 @@

    Arguments

    @@ -186,13 +183,12 @@

    Arguments

    @@ -202,59 +198,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -263,29 +227,13 @@

    Arguments

    - - - - - - - - @@ -295,7 +243,7 @@

    Arguments

    @@ -315,167 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block_s (matrix, row, col, block, lb_row_col, transposed, &
-                                                summation, flop, scale)
-     !! Inserts a block in a dbcsr matrix.
-     !! If the block exists, the current data is overwritten.
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_put_block_s (matrix, row, col, block, &
+                                                summation, scale)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the logical row
-        !! the logical column
-         REAL(kind=real_4), DIMENSION(:), CONTIGUOUS, INTENT(IN) :: block
-        !! the block to put
-         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
-        !! the block is transposed
-        !! if block exists, then sum the new block to the old one instead of replacing it
-         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
+         REAL(kind=real_4), DIMENSION(:), INTENT(IN)        :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: summation
          REAL(kind=real_4), INTENT(IN), OPTIONAL            :: scale
-        !! scale the OBblock being added
-
-         TYPE(btree_data_sp2d)          :: data_block, data_block2
-         INTEGER                                  :: blk, col_size, &
-                                                     nze, offset, &
-                                                     row_size, blk_p, &
-                                                     stored_row, stored_col, &
-                                                     iw, nwms
-         LOGICAL                                  :: found, tr, do_sum, tr_diff
-         REAL(kind=real_4), DIMENSION(:), POINTER         :: block_1d
-         INTEGER(KIND=int_8)                      :: my_flop
-
-!   ---------------------------------------------------------------------------
-         IF (PRESENT(transposed)) THEN
-            tr = transposed
-         ELSE
-            tr = .FALSE.
-         END IF
-         IF (PRESENT(summation)) THEN
-            do_sum = summation
-         ELSE
-            do_sum = .FALSE.
-         END IF
-         my_flop = 0
-         row_size = dbcsr_blk_row_size(matrix, row)
-         col_size = dbcsr_blk_column_size(matrix, col)
-         IF (tr) CALL swap(row_size, col_size)
 
-         stored_row = row; stored_col = col
-         nze = row_size*col_size
-         !
-         IF (debug_mod .AND. SIZE(block) < nze) &
-            DBCSR_ABORT("Invalid block dimensions")
-         CALL dbcsr_get_stored_block_info(matrix, stored_row, stored_col, &
-                                          found, blk, lb_row_col, offset)
-         IF (found) THEN
-            ! let's copy the block
-            offset = ABS(offset)
-            ! Fix the index if the new block's transpose flag is different
-            ! from the old one.
-            tr_diff = .FALSE.
-            IF (matrix%blk_p(blk) .LT. 0 .NEQV. tr) THEN
-               tr_diff = .TRUE.
-               matrix%blk_p(blk) = -matrix%blk_p(blk)
-            END IF
-            block_1d => pointer_view(dbcsr_get_data_p( &
-                                     matrix%data_area, 0.0_real_4), offset, offset + nze - 1)
-            IF (nze .GT. 0) THEN
-               IF (do_sum) THEN
-                  IF (tr_diff) &
-                     block_1d = RESHAPE(TRANSPOSE(RESHAPE(block_1d, (/col_size, row_size/))), (/nze/))
-                  IF (PRESENT(scale)) THEN
-                     CALL saxpy(nze, scale, block(1:nze), 1, &
-                                            block_1d, 1)
-                  ELSE
-                     CALL saxpy(nze, 1.0_real_4, block(1:nze), 1, &
-                                            block_1d, 1)
-                  END IF
-                  my_flop = my_flop + nze*2
-               ELSE
-                  IF (PRESENT(scale)) THEN
-                     CALL scopy(nze, scale*block(1:nze), 1, &
-                                            block_1d, 1)
-                  ELSE
-                     CALL scopy(nze, block(1:nze), 1, &
-                                            block_1d, 1)
-                  END IF
-               END IF
-            END IF
-         ELSE
-        !!@@@
-            !call dbcsr_assert (associated (matrix%wms), dbcsr_fatal_level,&
-            !     dbcsr_caller_error, routineN, "Work matrices not prepared")
-            IF (.NOT. ASSOCIATED(matrix%wms)) THEN
-               CALL dbcsr_work_create(matrix, nblks_guess=1, &
-                                      sizedata_guess=nze)
-            END IF
-            nwms = SIZE(matrix%wms)
-            iw = 1
-!$          IF (debug_mod .AND. nwms < omp_get_num_threads()) &
-!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$          iw = omp_get_thread_num() + 1
-            blk_p = matrix%wms(iw)%datasize + 1
-            IF (.NOT. dbcsr_wm_use_mutable(matrix%wms(iw))) THEN
-               IF (tr) blk_p = -blk_p
-               CALL add_work_coordinate(matrix%wms(iw), row, col, blk_p)
-               CALL dbcsr_data_ensure_size(matrix%wms(iw)%data_area, &
-                                           matrix%wms(iw)%datasize + nze, &
-                                           factor=default_resize_factor)
-               IF (PRESENT(scale)) THEN
-                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
-                                      data_size=nze, src=scale*block, source_lb=1)
-               ELSE
-                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
-                                      data_size=nze, src=block, source_lb=1)
-               END IF
-            ELSE
-               ALLOCATE (data_block%p(row_size, col_size))
-               IF (PRESENT(scale)) THEN
-                  data_block%p(:, :) = scale*RESHAPE(block, (/row_size, col_size/))
-               ELSE
-                  data_block%p(:, :) = RESHAPE(block, (/row_size, col_size/))
-               END IF
-               data_block%tr = tr
-               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
-                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
-                                         dbcsr_get_data_type(matrix))
-               END IF
-               IF (.NOT. do_sum) THEN
-                  CALL btree_add( &
-                     matrix%wms(iw)%mutable%m%btree_s, &
-                     make_coordinate_tuple(stored_row, stored_col), &
-                     data_block, found, data_block2, replace=.TRUE.)
-                  IF (found) THEN
-                     IF (.NOT. ASSOCIATED(data_block2%p)) &
-                        DBCSR_WARN("Data was not present in block")
-                     IF (ASSOCIATED(data_block2%p)) DEALLOCATE (data_block2%p)
-                  END IF
-               ELSE
-                  CALL btree_add( &
-                     matrix%wms(iw)%mutable%m%btree_s, &
-                     make_coordinate_tuple(stored_row, stored_col), &
-                     data_block, found, data_block2, replace=.FALSE.)
-                  IF (found) THEN
-                     IF (nze > 0) &
-                        CALL saxpy(nze, 1.0_real_4, block, 1, &
-                                               data_block2%p, 1)
-                     IF (.NOT. ASSOCIATED(data_block%p)) &
-                        DBCSR_WARN("Data was not present in block")
-                     IF (ASSOCIATED(data_block%p)) DEALLOCATE (data_block%p)
-                  END IF
-               END IF
-               IF (.NOT. found) THEN
-                  matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
-               END IF
-            END IF
-            IF (.NOT. found) THEN
-               matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + nze
-            END IF
-!$OMP ATOMIC WRITE
-            matrix%valid = .FALSE.
-         END IF
-         IF (PRESENT(flop)) flop = flop + my_flop
+         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
       END SUBROUTINE dbcsr_put_block_s
 
    
 
diff --git a/develop/proc/dbcsr_put_block_s~2.html b/develop/proc/dbcsr_put_block_s~2.html
index 0602866510e..d173cb25fef 100644
--- a/develop/proc/dbcsr_put_block_s~2.html
+++ b/develop/proc/dbcsr_put_block_s~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block_s
 
             
  • 
               8 statements
+                 title=" 0.2% of total for procedures.">109 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,13 @@

    Contents

    -

    private subroutine dbcsr_put_block_s(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    +

    Inserts a block in a dbcsr matrix. + If the block exists, the current data is overwritten.

    +

    @@@

    Arguments

    @@ -158,8 +161,8 @@

    Arguments

    @@ -183,12 +186,13 @@

    Arguments

    @@ -198,27 +202,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -227,13 +263,29 @@

    Arguments

    + + + + + + + + @@ -243,7 +295,7 @@

    Arguments

    @@ -263,15 +315,167 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block_s (matrix, row, col, block, &
-                                                summation, scale)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_put_block_s (matrix, row, col, block, lb_row_col, transposed, &
+                                                summation, flop, scale)
+     !! Inserts a block in a dbcsr matrix.
+     !! If the block exists, the current data is overwritten.
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         REAL(kind=real_4), DIMENSION(:), INTENT(IN)        :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: summation
+        !! the logical row
+        !! the logical column
+         REAL(kind=real_4), DIMENSION(:), CONTIGUOUS, INTENT(IN) :: block
+        !! the block to put
+         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
+        !! the block is transposed
+        !! if block exists, then sum the new block to the old one instead of replacing it
+         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
          REAL(kind=real_4), INTENT(IN), OPTIONAL            :: scale
+        !! scale the OBblock being added
+
+         TYPE(btree_data_sp2d)          :: data_block, data_block2
+         INTEGER                                  :: blk, col_size, &
+                                                     nze, offset, &
+                                                     row_size, blk_p, &
+                                                     stored_row, stored_col, &
+                                                     iw, nwms
+         LOGICAL                                  :: found, tr, do_sum, tr_diff
+         REAL(kind=real_4), DIMENSION(:), POINTER         :: block_1d
+         INTEGER(KIND=int_8)                      :: my_flop
+
+!   ---------------------------------------------------------------------------
+         IF (PRESENT(transposed)) THEN
+            tr = transposed
+         ELSE
+            tr = .FALSE.
+         END IF
+         IF (PRESENT(summation)) THEN
+            do_sum = summation
+         ELSE
+            do_sum = .FALSE.
+         END IF
+         my_flop = 0
+         row_size = dbcsr_blk_row_size(matrix, row)
+         col_size = dbcsr_blk_column_size(matrix, col)
+         IF (tr) CALL swap(row_size, col_size)
 
-         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
+         stored_row = row; stored_col = col
+         nze = row_size*col_size
+         !
+         IF (debug_mod .AND. SIZE(block) < nze) &
+            DBCSR_ABORT("Invalid block dimensions")
+         CALL dbcsr_get_stored_block_info(matrix, stored_row, stored_col, &
+                                          found, blk, lb_row_col, offset)
+         IF (found) THEN
+            ! let's copy the block
+            offset = ABS(offset)
+            ! Fix the index if the new block's transpose flag is different
+            ! from the old one.
+            tr_diff = .FALSE.
+            IF (matrix%blk_p(blk) .LT. 0 .NEQV. tr) THEN
+               tr_diff = .TRUE.
+               matrix%blk_p(blk) = -matrix%blk_p(blk)
+            END IF
+            block_1d => pointer_view(dbcsr_get_data_p( &
+                                     matrix%data_area, 0.0_real_4), offset, offset + nze - 1)
+            IF (nze .GT. 0) THEN
+               IF (do_sum) THEN
+                  IF (tr_diff) &
+                     block_1d = RESHAPE(TRANSPOSE(RESHAPE(block_1d, (/col_size, row_size/))), (/nze/))
+                  IF (PRESENT(scale)) THEN
+                     CALL saxpy(nze, scale, block(1:nze), 1, &
+                                            block_1d, 1)
+                  ELSE
+                     CALL saxpy(nze, 1.0_real_4, block(1:nze), 1, &
+                                            block_1d, 1)
+                  END IF
+                  my_flop = my_flop + nze*2
+               ELSE
+                  IF (PRESENT(scale)) THEN
+                     CALL scopy(nze, scale*block(1:nze), 1, &
+                                            block_1d, 1)
+                  ELSE
+                     CALL scopy(nze, block(1:nze), 1, &
+                                            block_1d, 1)
+                  END IF
+               END IF
+            END IF
+         ELSE
+        !!@@@
+            !call dbcsr_assert (associated (matrix%wms), dbcsr_fatal_level,&
+            !     dbcsr_caller_error, routineN, "Work matrices not prepared")
+            IF (.NOT. ASSOCIATED(matrix%wms)) THEN
+               CALL dbcsr_work_create(matrix, nblks_guess=1, &
+                                      sizedata_guess=nze)
+            END IF
+            nwms = SIZE(matrix%wms)
+            iw = 1
+!$          IF (debug_mod .AND. nwms < omp_get_num_threads()) &
+!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$          iw = omp_get_thread_num() + 1
+            blk_p = matrix%wms(iw)%datasize + 1
+            IF (.NOT. dbcsr_wm_use_mutable(matrix%wms(iw))) THEN
+               IF (tr) blk_p = -blk_p
+               CALL add_work_coordinate(matrix%wms(iw), row, col, blk_p)
+               CALL dbcsr_data_ensure_size(matrix%wms(iw)%data_area, &
+                                           matrix%wms(iw)%datasize + nze, &
+                                           factor=default_resize_factor)
+               IF (PRESENT(scale)) THEN
+                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
+                                      data_size=nze, src=scale*block, source_lb=1)
+               ELSE
+                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
+                                      data_size=nze, src=block, source_lb=1)
+               END IF
+            ELSE
+               ALLOCATE (data_block%p(row_size, col_size))
+               IF (PRESENT(scale)) THEN
+                  data_block%p(:, :) = scale*RESHAPE(block, (/row_size, col_size/))
+               ELSE
+                  data_block%p(:, :) = RESHAPE(block, (/row_size, col_size/))
+               END IF
+               data_block%tr = tr
+               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
+                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
+                                         dbcsr_get_data_type(matrix))
+               END IF
+               IF (.NOT. do_sum) THEN
+                  CALL btree_add( &
+                     matrix%wms(iw)%mutable%m%btree_s, &
+                     make_coordinate_tuple(stored_row, stored_col), &
+                     data_block, found, data_block2, replace=.TRUE.)
+                  IF (found) THEN
+                     IF (.NOT. ASSOCIATED(data_block2%p)) &
+                        DBCSR_WARN("Data was not present in block")
+                     IF (ASSOCIATED(data_block2%p)) DEALLOCATE (data_block2%p)
+                  END IF
+               ELSE
+                  CALL btree_add( &
+                     matrix%wms(iw)%mutable%m%btree_s, &
+                     make_coordinate_tuple(stored_row, stored_col), &
+                     data_block, found, data_block2, replace=.FALSE.)
+                  IF (found) THEN
+                     IF (nze > 0) &
+                        CALL saxpy(nze, 1.0_real_4, block, 1, &
+                                               data_block2%p, 1)
+                     IF (.NOT. ASSOCIATED(data_block%p)) &
+                        DBCSR_WARN("Data was not present in block")
+                     IF (ASSOCIATED(data_block%p)) DEALLOCATE (data_block%p)
+                  END IF
+               END IF
+               IF (.NOT. found) THEN
+                  matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
+               END IF
+            END IF
+            IF (.NOT. found) THEN
+               matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + nze
+            END IF
+!$OMP ATOMIC WRITE
+            matrix%valid = .FALSE.
+         END IF
+         IF (PRESENT(flop)) flop = flop + my_flop
       END SUBROUTINE dbcsr_put_block_s
 
    
 
diff --git a/develop/proc/dbcsr_put_block_z.html b/develop/proc/dbcsr_put_block_z.html
index 2a14174a66d..fbd106d6c00 100644
--- a/develop/proc/dbcsr_put_block_z.html
+++ b/develop/proc/dbcsr_put_block_z.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block_z
 
             
  • 
               109 statements
+                 title=" 0.0% of total for procedures.">8 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,13 +139,10 @@

    Contents

    -

    private subroutine dbcsr_put_block_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_z(matrix, row, col, block, summation, scale)

    -

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    -

    @@@

    Arguments

    @@ -161,8 +158,8 @@

    Arguments

    @@ -186,13 +183,12 @@

    Arguments

    @@ -202,59 +198,27 @@

    Arguments

    - - - - - - - - - - - - - - - - @@ -263,29 +227,13 @@

    Arguments

    - - - - - - - - @@ -295,7 +243,7 @@

    Arguments

    @@ -315,167 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block_z (matrix, row, col, block, lb_row_col, transposed, &
-                                                summation, flop, scale)
-     !! Inserts a block in a dbcsr matrix.
-     !! If the block exists, the current data is overwritten.
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_put_block_z (matrix, row, col, block, &
+                                                summation, scale)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the logical row
-        !! the logical column
-         COMPLEX(kind=real_8), DIMENSION(:), CONTIGUOUS, INTENT(IN) :: block
-        !! the block to put
-         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
-        !! the block is transposed
-        !! if block exists, then sum the new block to the old one instead of replacing it
-         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
+         COMPLEX(kind=real_8), DIMENSION(:), INTENT(IN)        :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: summation
          COMPLEX(kind=real_8), INTENT(IN), OPTIONAL            :: scale
-        !! scale the OBblock being added
-
-         TYPE(btree_data_zp2d)          :: data_block, data_block2
-         INTEGER                                  :: blk, col_size, &
-                                                     nze, offset, &
-                                                     row_size, blk_p, &
-                                                     stored_row, stored_col, &
-                                                     iw, nwms
-         LOGICAL                                  :: found, tr, do_sum, tr_diff
-         COMPLEX(kind=real_8), DIMENSION(:), POINTER         :: block_1d
-         INTEGER(KIND=int_8)                      :: my_flop
-
-!   ---------------------------------------------------------------------------
-         IF (PRESENT(transposed)) THEN
-            tr = transposed
-         ELSE
-            tr = .FALSE.
-         END IF
-         IF (PRESENT(summation)) THEN
-            do_sum = summation
-         ELSE
-            do_sum = .FALSE.
-         END IF
-         my_flop = 0
-         row_size = dbcsr_blk_row_size(matrix, row)
-         col_size = dbcsr_blk_column_size(matrix, col)
-         IF (tr) CALL swap(row_size, col_size)
 
-         stored_row = row; stored_col = col
-         nze = row_size*col_size
-         !
-         IF (debug_mod .AND. SIZE(block) < nze) &
-            DBCSR_ABORT("Invalid block dimensions")
-         CALL dbcsr_get_stored_block_info(matrix, stored_row, stored_col, &
-                                          found, blk, lb_row_col, offset)
-         IF (found) THEN
-            ! let's copy the block
-            offset = ABS(offset)
-            ! Fix the index if the new block's transpose flag is different
-            ! from the old one.
-            tr_diff = .FALSE.
-            IF (matrix%blk_p(blk) .LT. 0 .NEQV. tr) THEN
-               tr_diff = .TRUE.
-               matrix%blk_p(blk) = -matrix%blk_p(blk)
-            END IF
-            block_1d => pointer_view(dbcsr_get_data_p( &
-                                     matrix%data_area, CMPLX(0.0, 0.0, real_8)), offset, offset + nze - 1)
-            IF (nze .GT. 0) THEN
-               IF (do_sum) THEN
-                  IF (tr_diff) &
-                     block_1d = RESHAPE(TRANSPOSE(RESHAPE(block_1d, (/col_size, row_size/))), (/nze/))
-                  IF (PRESENT(scale)) THEN
-                     CALL zaxpy(nze, scale, block(1:nze), 1, &
-                                            block_1d, 1)
-                  ELSE
-                     CALL zaxpy(nze, CMPLX(1.0, 0.0, real_8), block(1:nze), 1, &
-                                            block_1d, 1)
-                  END IF
-                  my_flop = my_flop + nze*2
-               ELSE
-                  IF (PRESENT(scale)) THEN
-                     CALL zcopy(nze, scale*block(1:nze), 1, &
-                                            block_1d, 1)
-                  ELSE
-                     CALL zcopy(nze, block(1:nze), 1, &
-                                            block_1d, 1)
-                  END IF
-               END IF
-            END IF
-         ELSE
-        !!@@@
-            !call dbcsr_assert (associated (matrix%wms), dbcsr_fatal_level,&
-            !     dbcsr_caller_error, routineN, "Work matrices not prepared")
-            IF (.NOT. ASSOCIATED(matrix%wms)) THEN
-               CALL dbcsr_work_create(matrix, nblks_guess=1, &
-                                      sizedata_guess=nze)
-            END IF
-            nwms = SIZE(matrix%wms)
-            iw = 1
-!$          IF (debug_mod .AND. nwms < omp_get_num_threads()) &
-!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$          iw = omp_get_thread_num() + 1
-            blk_p = matrix%wms(iw)%datasize + 1
-            IF (.NOT. dbcsr_wm_use_mutable(matrix%wms(iw))) THEN
-               IF (tr) blk_p = -blk_p
-               CALL add_work_coordinate(matrix%wms(iw), row, col, blk_p)
-               CALL dbcsr_data_ensure_size(matrix%wms(iw)%data_area, &
-                                           matrix%wms(iw)%datasize + nze, &
-                                           factor=default_resize_factor)
-               IF (PRESENT(scale)) THEN
-                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
-                                      data_size=nze, src=scale*block, source_lb=1)
-               ELSE
-                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
-                                      data_size=nze, src=block, source_lb=1)
-               END IF
-            ELSE
-               ALLOCATE (data_block%p(row_size, col_size))
-               IF (PRESENT(scale)) THEN
-                  data_block%p(:, :) = scale*RESHAPE(block, (/row_size, col_size/))
-               ELSE
-                  data_block%p(:, :) = RESHAPE(block, (/row_size, col_size/))
-               END IF
-               data_block%tr = tr
-               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
-                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
-                                         dbcsr_get_data_type(matrix))
-               END IF
-               IF (.NOT. do_sum) THEN
-                  CALL btree_add( &
-                     matrix%wms(iw)%mutable%m%btree_z, &
-                     make_coordinate_tuple(stored_row, stored_col), &
-                     data_block, found, data_block2, replace=.TRUE.)
-                  IF (found) THEN
-                     IF (.NOT. ASSOCIATED(data_block2%p)) &
-                        DBCSR_WARN("Data was not present in block")
-                     IF (ASSOCIATED(data_block2%p)) DEALLOCATE (data_block2%p)
-                  END IF
-               ELSE
-                  CALL btree_add( &
-                     matrix%wms(iw)%mutable%m%btree_z, &
-                     make_coordinate_tuple(stored_row, stored_col), &
-                     data_block, found, data_block2, replace=.FALSE.)
-                  IF (found) THEN
-                     IF (nze > 0) &
-                        CALL zaxpy(nze, CMPLX(1.0, 0.0, real_8), block, 1, &
-                                               data_block2%p, 1)
-                     IF (.NOT. ASSOCIATED(data_block%p)) &
-                        DBCSR_WARN("Data was not present in block")
-                     IF (ASSOCIATED(data_block%p)) DEALLOCATE (data_block%p)
-                  END IF
-               END IF
-               IF (.NOT. found) THEN
-                  matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
-               END IF
-            END IF
-            IF (.NOT. found) THEN
-               matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + nze
-            END IF
-!$OMP ATOMIC WRITE
-            matrix%valid = .FALSE.
-         END IF
-         IF (PRESENT(flop)) flop = flop + my_flop
+         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
       END SUBROUTINE dbcsr_put_block_z
 
    
 
diff --git a/develop/proc/dbcsr_put_block_z~2.html b/develop/proc/dbcsr_put_block_z~2.html
index aaab17c4f2a..134680f9027 100644
--- a/develop/proc/dbcsr_put_block_z~2.html
+++ b/develop/proc/dbcsr_put_block_z~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_put_block_z
 
             
  • 
               8 statements
+                 title=" 0.2% of total for procedures.">109 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,13 @@

    Contents

    -

    private subroutine dbcsr_put_block_z(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    +

    Inserts a block in a dbcsr matrix. + If the block exists, the current data is overwritten.

    +

    @@@

    Arguments

    @@ -158,8 +161,8 @@

    Arguments

    @@ -183,12 +186,13 @@

    Arguments

    @@ -198,27 +202,59 @@

    Arguments

    + + + + + + + + + + + + + + + + @@ -227,13 +263,29 @@

    Arguments

    + + + + + + + + @@ -243,7 +295,7 @@

    Arguments

    @@ -263,15 +315,167 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_put_block_z (matrix, row, col, block, &
-                                                summation, scale)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_put_block_z (matrix, row, col, block, lb_row_col, transposed, &
+                                                summation, flop, scale)
+     !! Inserts a block in a dbcsr matrix.
+     !! If the block exists, the current data is overwritten.
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         COMPLEX(kind=real_8), DIMENSION(:), INTENT(IN)        :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: summation
+        !! the logical row
+        !! the logical column
+         COMPLEX(kind=real_8), DIMENSION(:), CONTIGUOUS, INTENT(IN) :: block
+        !! the block to put
+         INTEGER, DIMENSION(2), OPTIONAL, INTENT(INOUT) :: lb_row_col
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed, summation
+        !! the block is transposed
+        !! if block exists, then sum the new block to the old one instead of replacing it
+         INTEGER(KIND=int_8), INTENT(INOUT), OPTIONAL :: flop
          COMPLEX(kind=real_8), INTENT(IN), OPTIONAL            :: scale
+        !! scale the OBblock being added
+
+         TYPE(btree_data_zp2d)          :: data_block, data_block2
+         INTEGER                                  :: blk, col_size, &
+                                                     nze, offset, &
+                                                     row_size, blk_p, &
+                                                     stored_row, stored_col, &
+                                                     iw, nwms
+         LOGICAL                                  :: found, tr, do_sum, tr_diff
+         COMPLEX(kind=real_8), DIMENSION(:), POINTER         :: block_1d
+         INTEGER(KIND=int_8)                      :: my_flop
+
+!   ---------------------------------------------------------------------------
+         IF (PRESENT(transposed)) THEN
+            tr = transposed
+         ELSE
+            tr = .FALSE.
+         END IF
+         IF (PRESENT(summation)) THEN
+            do_sum = summation
+         ELSE
+            do_sum = .FALSE.
+         END IF
+         my_flop = 0
+         row_size = dbcsr_blk_row_size(matrix, row)
+         col_size = dbcsr_blk_column_size(matrix, col)
+         IF (tr) CALL swap(row_size, col_size)
 
-         CALL dbcsr_put_block_prv(matrix%prv, row, col, block, summation=summation, scale=scale)
+         stored_row = row; stored_col = col
+         nze = row_size*col_size
+         !
+         IF (debug_mod .AND. SIZE(block) < nze) &
+            DBCSR_ABORT("Invalid block dimensions")
+         CALL dbcsr_get_stored_block_info(matrix, stored_row, stored_col, &
+                                          found, blk, lb_row_col, offset)
+         IF (found) THEN
+            ! let's copy the block
+            offset = ABS(offset)
+            ! Fix the index if the new block's transpose flag is different
+            ! from the old one.
+            tr_diff = .FALSE.
+            IF (matrix%blk_p(blk) .LT. 0 .NEQV. tr) THEN
+               tr_diff = .TRUE.
+               matrix%blk_p(blk) = -matrix%blk_p(blk)
+            END IF
+            block_1d => pointer_view(dbcsr_get_data_p( &
+                                     matrix%data_area, CMPLX(0.0, 0.0, real_8)), offset, offset + nze - 1)
+            IF (nze .GT. 0) THEN
+               IF (do_sum) THEN
+                  IF (tr_diff) &
+                     block_1d = RESHAPE(TRANSPOSE(RESHAPE(block_1d, (/col_size, row_size/))), (/nze/))
+                  IF (PRESENT(scale)) THEN
+                     CALL zaxpy(nze, scale, block(1:nze), 1, &
+                                            block_1d, 1)
+                  ELSE
+                     CALL zaxpy(nze, CMPLX(1.0, 0.0, real_8), block(1:nze), 1, &
+                                            block_1d, 1)
+                  END IF
+                  my_flop = my_flop + nze*2
+               ELSE
+                  IF (PRESENT(scale)) THEN
+                     CALL zcopy(nze, scale*block(1:nze), 1, &
+                                            block_1d, 1)
+                  ELSE
+                     CALL zcopy(nze, block(1:nze), 1, &
+                                            block_1d, 1)
+                  END IF
+               END IF
+            END IF
+         ELSE
+        !!@@@
+            !call dbcsr_assert (associated (matrix%wms), dbcsr_fatal_level,&
+            !     dbcsr_caller_error, routineN, "Work matrices not prepared")
+            IF (.NOT. ASSOCIATED(matrix%wms)) THEN
+               CALL dbcsr_work_create(matrix, nblks_guess=1, &
+                                      sizedata_guess=nze)
+            END IF
+            nwms = SIZE(matrix%wms)
+            iw = 1
+!$          IF (debug_mod .AND. nwms < omp_get_num_threads()) &
+!$             DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$          iw = omp_get_thread_num() + 1
+            blk_p = matrix%wms(iw)%datasize + 1
+            IF (.NOT. dbcsr_wm_use_mutable(matrix%wms(iw))) THEN
+               IF (tr) blk_p = -blk_p
+               CALL add_work_coordinate(matrix%wms(iw), row, col, blk_p)
+               CALL dbcsr_data_ensure_size(matrix%wms(iw)%data_area, &
+                                           matrix%wms(iw)%datasize + nze, &
+                                           factor=default_resize_factor)
+               IF (PRESENT(scale)) THEN
+                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
+                                      data_size=nze, src=scale*block, source_lb=1)
+               ELSE
+                  CALL dbcsr_data_set(matrix%wms(iw)%data_area, ABS(blk_p), &
+                                      data_size=nze, src=block, source_lb=1)
+               END IF
+            ELSE
+               ALLOCATE (data_block%p(row_size, col_size))
+               IF (PRESENT(scale)) THEN
+                  data_block%p(:, :) = scale*RESHAPE(block, (/row_size, col_size/))
+               ELSE
+                  data_block%p(:, :) = RESHAPE(block, (/row_size, col_size/))
+               END IF
+               data_block%tr = tr
+               IF (.NOT. dbcsr_mutable_instantiated(matrix%wms(iw)%mutable)) THEN
+                  CALL dbcsr_mutable_new(matrix%wms(iw)%mutable, &
+                                         dbcsr_get_data_type(matrix))
+               END IF
+               IF (.NOT. do_sum) THEN
+                  CALL btree_add( &
+                     matrix%wms(iw)%mutable%m%btree_z, &
+                     make_coordinate_tuple(stored_row, stored_col), &
+                     data_block, found, data_block2, replace=.TRUE.)
+                  IF (found) THEN
+                     IF (.NOT. ASSOCIATED(data_block2%p)) &
+                        DBCSR_WARN("Data was not present in block")
+                     IF (ASSOCIATED(data_block2%p)) DEALLOCATE (data_block2%p)
+                  END IF
+               ELSE
+                  CALL btree_add( &
+                     matrix%wms(iw)%mutable%m%btree_z, &
+                     make_coordinate_tuple(stored_row, stored_col), &
+                     data_block, found, data_block2, replace=.FALSE.)
+                  IF (found) THEN
+                     IF (nze > 0) &
+                        CALL zaxpy(nze, CMPLX(1.0, 0.0, real_8), block, 1, &
+                                               data_block2%p, 1)
+                     IF (.NOT. ASSOCIATED(data_block%p)) &
+                        DBCSR_WARN("Data was not present in block")
+                     IF (ASSOCIATED(data_block%p)) DEALLOCATE (data_block%p)
+                  END IF
+               END IF
+               IF (.NOT. found) THEN
+                  matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
+               END IF
+            END IF
+            IF (.NOT. found) THEN
+               matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + nze
+            END IF
+!$OMP ATOMIC WRITE
+            matrix%valid = .FALSE.
+         END IF
+         IF (PRESENT(flop)) flop = flop + my_flop
       END SUBROUTINE dbcsr_put_block_z
 
    
 
diff --git a/develop/proc/dbcsr_random_dist.html b/develop/proc/dbcsr_random_dist.html
index e530d817734..3e79be1a23e 100644
--- a/develop/proc/dbcsr_random_dist.html
+++ b/develop/proc/dbcsr_random_dist.html
@@ -158,7 +158,7 @@ 
    Arguments
    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_real_dp_to_string.html b/develop/proc/dbcsr_real_dp_to_string.html index 35df714dee6..741d3bde8d6 100644 --- a/develop/proc/dbcsr_real_dp_to_string.html +++ b/develop/proc/dbcsr_real_dp_to_string.html @@ -161,7 +161,7 @@

    Arguments

    @@ -179,7 +179,7 @@

    Arguments

    Return Value - + character(len=11)

    diff --git a/develop/proc/dbcsr_redistribute.html b/develop/proc/dbcsr_redistribute.html index 292a1db7d5a..e67a0139c8b 100644 --- a/develop/proc/dbcsr_redistribute.html +++ b/develop/proc/dbcsr_redistribute.html @@ -161,7 +161,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_release.html b/develop/proc/dbcsr_release.html index df7bb285408..acb7190571a 100644 --- a/develop/proc/dbcsr_release.html +++ b/develop/proc/dbcsr_release.html @@ -74,20 +74,20 @@

    dbcsr_release
  • 7 statements + title=" 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -139,12 +139,10 @@

    Contents

    -

    public recursive subroutine dbcsr_release(matrix) +

    public subroutine dbcsr_release(matrix)

    -

    Releases a reference for a DBCSR matrix -If there are no references left, the matrix is destroyed.

    Arguments

    @@ -160,8 +158,8 @@

    Arguments

    @@ -190,18 +188,11 @@

    Arguments

    Source Code

    - 
       RECURSIVE SUBROUTINE dbcsr_release(matrix)
-      !! Releases a reference for a DBCSR matrix
-      !! If there are no references left, the matrix is destroyed.
-
+    
       SUBROUTINE dbcsr_release(matrix)
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         !! DBCSR matrix
 
-      matrix%refcount = matrix%refcount - 1
-      IF (matrix%refcount .EQ. 0) THEN
-         CALL dbcsr_destroy(matrix)
-      END IF
-   END SUBROUTINE dbcsr_release
+      CALL dbcsr_release_prv(matrix%prv)
+   END SUBROUTINE dbcsr_release
    diff --git a/develop/proc/dbcsr_release_locals.html b/develop/proc/dbcsr_release_locals.html index 295b58d0314..db3466e74f9 100644 --- a/develop/proc/dbcsr_release_locals.html +++ b/develop/proc/dbcsr_release_locals.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_release_p.html b/develop/proc/dbcsr_release_p.html index df12d460103..bcfed27930c 100644 --- a/develop/proc/dbcsr_release_p.html +++ b/develop/proc/dbcsr_release_p.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_release~2.html b/develop/proc/dbcsr_release~2.html index aff20c08720..14ef044a310 100644 --- a/develop/proc/dbcsr_release~2.html +++ b/develop/proc/dbcsr_release~2.html @@ -74,20 +74,20 @@

    dbcsr_release
  • 4 statements + title=" 0.0% of total for procedures.">7 statements
  • - Source File + Source File
    • @@ -139,10 +139,12 @@

    Contents

    -

    public subroutine dbcsr_release(matrix) +

    public recursive subroutine dbcsr_release(matrix)

    +

    Releases a reference for a DBCSR matrix +If there are no references left, the matrix is destroyed.

    Arguments

    @@ -158,8 +160,8 @@

    Arguments

    @@ -188,11 +190,18 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_release(matrix)
+    
       RECURSIVE SUBROUTINE dbcsr_release(matrix)
+      !! Releases a reference for a DBCSR matrix
+      !! If there are no references left, the matrix is destroyed.
+
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
+         !! DBCSR matrix
 
-      CALL dbcsr_release_prv(matrix%prv)
-   END SUBROUTINE dbcsr_release
+      matrix%refcount = matrix%refcount - 1
+      IF (matrix%refcount .EQ. 0) THEN
+         CALL dbcsr_destroy(matrix)
+      END IF
+   END SUBROUTINE dbcsr_release
    diff --git a/develop/proc/dbcsr_remove_block.html b/develop/proc/dbcsr_remove_block.html index 199fc9f569b..48ee2ba5434 100644 --- a/develop/proc/dbcsr_remove_block.html +++ b/develop/proc/dbcsr_remove_block.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    @@ -223,7 +223,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_repl_get_stored_coordinates.html b/develop/proc/dbcsr_repl_get_stored_coordinates.html index af673c9e283..32d642a40d1 100644 --- a/develop/proc/dbcsr_repl_get_stored_coordinates.html +++ b/develop/proc/dbcsr_repl_get_stored_coordinates.html @@ -154,7 +154,7 @@

    Arguments

    @@ -169,7 +169,7 @@

    Arguments

    @@ -185,7 +185,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_replicate.html b/develop/proc/dbcsr_replicate.html index ebd8714af88..0123659049d 100644 --- a/develop/proc/dbcsr_replicate.html +++ b/develop/proc/dbcsr_replicate.html @@ -163,7 +163,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_replicate_all.html b/develop/proc/dbcsr_replicate_all.html index 9a9f6a1f7f4..8400be963a4 100644 --- a/develop/proc/dbcsr_replicate_all.html +++ b/develop/proc/dbcsr_replicate_all.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_replicate_all~2.html b/develop/proc/dbcsr_replicate_all~2.html index bf8f8d33aef..dfef7061f36 100644 --- a/develop/proc/dbcsr_replicate_all~2.html +++ b/develop/proc/dbcsr_replicate_all~2.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_repoint_index.html b/develop/proc/dbcsr_repoint_index.html index eff9c765828..cf958ddac53 100644 --- a/develop/proc/dbcsr_repoint_index.html +++ b/develop/proc/dbcsr_repoint_index.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_reserve_all_blocks.html b/develop/proc/dbcsr_reserve_all_blocks.html index 961cb4e0206..b09893783e5 100644 --- a/develop/proc/dbcsr_reserve_all_blocks.html +++ b/develop/proc/dbcsr_reserve_all_blocks.html @@ -74,20 +74,20 @@

    dbcsr_reserve_all_blocks
  • 43 statements + title=" 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -143,8 +143,6 @@

    public subroutine dbcsr_reserve_all_blocks(matrix)

    -

    Inserts all blocks of a dbcsr matrix to make it a full matrix. -Thus obviously not linear scaling.

    Arguments

    @@ -160,8 +158,8 @@

    Arguments

    @@ -191,63 +189,9 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_reserve_all_blocks(matrix)
-      !! Inserts all blocks of a dbcsr matrix to make it a full matrix.
-      !! Thus obviously not linear scaling.
-
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         !! Matrix into which blocks should be added.
-
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_reserve_all_blocks'
-
-      INTEGER                                            :: blk_count, col, col_local, col_s, &
-                                                            error_handle, myrank, rank, row, &
-                                                            row_local, row_s
-      INTEGER, ALLOCATABLE, DIMENSION(:)                 :: columns, rows
-      INTEGER, DIMENSION(:), POINTER                     :: local_cols, local_rows
-      LOGICAL                                            :: tr
-
-      CALL timeset(routineN, error_handle)
-
-      myrank = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
-      local_rows => dbcsr_distribution_local_rows(dbcsr_distribution(matrix))
-      local_cols => dbcsr_distribution_local_cols(dbcsr_distribution(matrix))
-
-      blk_count = 0
-      ! should be possible to loop only over the local blockrows/blockcols
-      DO row_local = 1, SIZE(local_rows)
-         DO col_local = 1, SIZE(local_cols)
-            tr = .FALSE.
-            row = local_rows(row_local)
-            col = local_cols(col_local)
-            row_s = row; col_s = col
-            CALL dbcsr_get_stored_coordinates(matrix, row_s, col_s, rank)
-            ! is that the correct condition for symmetric matrices ?
-            IF (rank .EQ. myrank .AND. row_s .EQ. row .AND. col_s .EQ. col) blk_count = blk_count + 1
-         END DO
-      END DO
-
-      ALLOCATE (rows(blk_count), columns(blk_count))
-
-      blk_count = 0
-      DO row_local = 1, SIZE(local_rows)
-         DO col_local = 1, SIZE(local_cols)
-            tr = .FALSE.
-            row = local_rows(row_local)
-            col = local_cols(col_local)
-            row_s = row; col_s = col
-            CALL dbcsr_get_stored_coordinates(matrix, row_s, col_s, rank)
-            IF (rank .EQ. myrank .AND. row_s .EQ. row .AND. col_s .EQ. col) THEN
-               blk_count = blk_count + 1
-               rows(blk_count) = row
-               columns(blk_count) = col
-            END IF
-         END DO
-      END DO
-
-      CALL dbcsr_reserve_blocks(matrix, rows, columns)
-
-      CALL timestop(error_handle)
 
+      CALL dbcsr_reserve_all_blocks_prv(matrix%prv)
    END SUBROUTINE dbcsr_reserve_all_blocks
    diff --git a/develop/proc/dbcsr_reserve_all_blocks~2.html b/develop/proc/dbcsr_reserve_all_blocks~2.html index ac49e33fa11..4f0923b067c 100644 --- a/develop/proc/dbcsr_reserve_all_blocks~2.html +++ b/develop/proc/dbcsr_reserve_all_blocks~2.html @@ -74,20 +74,20 @@

    dbcsr_reserve_all_blocks
  • 4 statements + title=" 0.1% of total for procedures.">43 statements
  • - Source File + Source File
    • @@ -143,6 +143,8 @@

    public subroutine dbcsr_reserve_all_blocks(matrix)

    +

    Inserts all blocks of a dbcsr matrix to make it a full matrix. +Thus obviously not linear scaling.

    Arguments

    @@ -158,8 +160,8 @@

    Arguments

    @@ -189,9 +191,63 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_reserve_all_blocks(matrix)
+      !! Inserts all blocks of a dbcsr matrix to make it a full matrix.
+      !! Thus obviously not linear scaling.
+
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
+         !! Matrix into which blocks should be added.
+
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_reserve_all_blocks'
+
+      INTEGER                                            :: blk_count, col, col_local, col_s, &
+                                                            error_handle, myrank, rank, row, &
+                                                            row_local, row_s
+      INTEGER, ALLOCATABLE, DIMENSION(:)                 :: columns, rows
+      INTEGER, DIMENSION(:), POINTER                     :: local_cols, local_rows
+      LOGICAL                                            :: tr
+
+      CALL timeset(routineN, error_handle)
+
+      myrank = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
+      local_rows => dbcsr_distribution_local_rows(dbcsr_distribution(matrix))
+      local_cols => dbcsr_distribution_local_cols(dbcsr_distribution(matrix))
+
+      blk_count = 0
+      ! should be possible to loop only over the local blockrows/blockcols
+      DO row_local = 1, SIZE(local_rows)
+         DO col_local = 1, SIZE(local_cols)
+            tr = .FALSE.
+            row = local_rows(row_local)
+            col = local_cols(col_local)
+            row_s = row; col_s = col
+            CALL dbcsr_get_stored_coordinates(matrix, row_s, col_s, rank)
+            ! is that the correct condition for symmetric matrices ?
+            IF (rank .EQ. myrank .AND. row_s .EQ. row .AND. col_s .EQ. col) blk_count = blk_count + 1
+         END DO
+      END DO
+
+      ALLOCATE (rows(blk_count), columns(blk_count))
+
+      blk_count = 0
+      DO row_local = 1, SIZE(local_rows)
+         DO col_local = 1, SIZE(local_cols)
+            tr = .FALSE.
+            row = local_rows(row_local)
+            col = local_cols(col_local)
+            row_s = row; col_s = col
+            CALL dbcsr_get_stored_coordinates(matrix, row_s, col_s, rank)
+            IF (rank .EQ. myrank .AND. row_s .EQ. row .AND. col_s .EQ. col) THEN
+               blk_count = blk_count + 1
+               rows(blk_count) = row
+               columns(blk_count) = col
+            END IF
+         END DO
+      END DO
+
+      CALL dbcsr_reserve_blocks(matrix, rows, columns)
+
+      CALL timestop(error_handle)
 
-      CALL dbcsr_reserve_all_blocks_prv(matrix%prv)
    END SUBROUTINE dbcsr_reserve_all_blocks
    diff --git a/develop/proc/dbcsr_reserve_block2d_c.html b/develop/proc/dbcsr_reserve_block2d_c.html index 0894d0cad14..757551a2561 100644 --- a/develop/proc/dbcsr_reserve_block2d_c.html +++ b/develop/proc/dbcsr_reserve_block2d_c.html @@ -74,20 +74,20 @@

    dbcsr_reserve_block2d_c
  • 59 statements + title=" 0.0% of total for procedures.">8 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transpo

    -

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,7 +243,7 @@

    Arguments

    @@ -266,97 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_reserve_block2d_c (matrix, row, col, block, &
-                                                      transposed, existed)
-     !! Put a 2-D block in a DBCSR matrix using the btree
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_reserve_block2d_c (matrix, row, col, block, transposed, existed)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER         :: block
-        !! the block to reserve; added if not NULL
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
-        !! the block holds transposed data
+         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER        :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
          LOGICAL, INTENT(OUT), OPTIONAL           :: existed
-        !! block already existed
-
-         TYPE(btree_data_cp2d)          :: data_block, data_block2
-         INTEGER                                  :: col_size, row_size, &
-                                                     stored_row, stored_col, &
-                                                     iw, nwms
-         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size
-         LOGICAL                                  :: found, gift, tr, sym_tr
-         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER         :: original_block
-
-!   ---------------------------------------------------------------------------
-
-         gift = ASSOCIATED(block)
-         IF (gift) THEN
-            original_block => block
-         ELSE
-            NULLIFY (original_block)
-         END IF
-         row_blk_size => array_data(matrix%row_blk_size)
-         col_blk_size => array_data(matrix%col_blk_size)
-         row_size = row_blk_size(row)
-         col_size = col_blk_size(col)
-
-         stored_row = row; stored_col = col
-         IF (PRESENT(transposed)) THEN
-            tr = transposed
-         ELSE
-            tr = .FALSE.
-         END IF
-         sym_tr = .FALSE.
-         CALL dbcsr_get_stored_coordinates(matrix, stored_row, stored_col)
-         IF (.NOT. ASSOCIATED(matrix%wms)) THEN
-            CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
-!$OMP        MASTER
-            matrix%valid = .FALSE.
-!$OMP        END MASTER
-!$OMP        BARRIER
-         END IF
-
-         NULLIFY (data_block%p)
-         IF (.NOT. gift) THEN
-            ALLOCATE (data_block%p(row_size, col_size))
-            block => data_block%p
-         ELSE
-            data_block%p => block
-         END IF
-         data_block%tr = tr
-
-         nwms = SIZE(matrix%wms)
-         iw = 1
-!$       IF (nwms < omp_get_num_threads()) &
-!$          DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$       iw = omp_get_thread_num() + 1
-         CALL btree_add(matrix%wms(iw)%mutable%m%btree_c, &
-                        make_coordinate_tuple(stored_row, stored_col), &
-                        data_block, found, data_block2)
 
-         IF (.NOT. found) THEN
-#if defined(_OPENMP) && (200711 <= _OPENMP)
-!$OMP ATOMIC WRITE
-            matrix%valid = .FALSE.
-#else
-!$OMP CRITICAL (critical_reserve_block2d)
-            matrix%valid = .FALSE.
-!$OMP END CRITICAL (critical_reserve_block2d)
-#endif
-            matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
-            matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + row_size*col_size
-         ELSE
-            IF (.NOT. gift) THEN
-               DEALLOCATE (data_block%p)
-            ELSE
-               DEALLOCATE (original_block)
-            END IF
-            block => data_block2%p
-         END IF
-         IF (PRESENT(existed)) existed = found
+         CALL dbcsr_reserve_block2d_prv(matrix%prv, row, col, block, &
+                                        transposed, existed)
       END SUBROUTINE dbcsr_reserve_block2d_c
 
    
 
diff --git a/develop/proc/dbcsr_reserve_block2d_c~2.html b/develop/proc/dbcsr_reserve_block2d_c~2.html
index 7bd50a7249c..868cfe154f3 100644
--- a/develop/proc/dbcsr_reserve_block2d_c~2.html
+++ b/develop/proc/dbcsr_reserve_block2d_c~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_reserve_block2d_c
 
             
  • 
               8 statements
+                 title=" 0.1% of total for procedures.">59 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,6 +143,7 @@

    private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transpo

    +

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,7 +231,7 @@

    Arguments

    @@ -243,7 +246,7 @@

    Arguments

    @@ -263,15 +266,97 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_reserve_block2d_c (matrix, row, col, block, transposed, existed)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_reserve_block2d_c (matrix, row, col, block, &
+                                                      transposed, existed)
+     !! Put a 2-D block in a DBCSR matrix using the btree
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER        :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
+        !! the row
+        !! the column
+         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER         :: block
+        !! the block to reserve; added if not NULL
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
+        !! the block holds transposed data
          LOGICAL, INTENT(OUT), OPTIONAL           :: existed
+        !! block already existed
+
+         TYPE(btree_data_cp2d)          :: data_block, data_block2
+         INTEGER                                  :: col_size, row_size, &
+                                                     stored_row, stored_col, &
+                                                     iw, nwms
+         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size
+         LOGICAL                                  :: found, gift, tr, sym_tr
+         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER         :: original_block
+
+!   ---------------------------------------------------------------------------
+
+         gift = ASSOCIATED(block)
+         IF (gift) THEN
+            original_block => block
+         ELSE
+            NULLIFY (original_block)
+         END IF
+         row_blk_size => array_data(matrix%row_blk_size)
+         col_blk_size => array_data(matrix%col_blk_size)
+         row_size = row_blk_size(row)
+         col_size = col_blk_size(col)
+
+         stored_row = row; stored_col = col
+         IF (PRESENT(transposed)) THEN
+            tr = transposed
+         ELSE
+            tr = .FALSE.
+         END IF
+         sym_tr = .FALSE.
+         CALL dbcsr_get_stored_coordinates(matrix, stored_row, stored_col)
+         IF (.NOT. ASSOCIATED(matrix%wms)) THEN
+            CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
+!$OMP        MASTER
+            matrix%valid = .FALSE.
+!$OMP        END MASTER
+!$OMP        BARRIER
+         END IF
+
+         NULLIFY (data_block%p)
+         IF (.NOT. gift) THEN
+            ALLOCATE (data_block%p(row_size, col_size))
+            block => data_block%p
+         ELSE
+            data_block%p => block
+         END IF
+         data_block%tr = tr
+
+         nwms = SIZE(matrix%wms)
+         iw = 1
+!$       IF (nwms < omp_get_num_threads()) &
+!$          DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$       iw = omp_get_thread_num() + 1
+         CALL btree_add(matrix%wms(iw)%mutable%m%btree_c, &
+                        make_coordinate_tuple(stored_row, stored_col), &
+                        data_block, found, data_block2)
 
-         CALL dbcsr_reserve_block2d_prv(matrix%prv, row, col, block, &
-                                        transposed, existed)
+         IF (.NOT. found) THEN
+#if defined(_OPENMP) && (200711 <= _OPENMP)
+!$OMP ATOMIC WRITE
+            matrix%valid = .FALSE.
+#else
+!$OMP CRITICAL (critical_reserve_block2d)
+            matrix%valid = .FALSE.
+!$OMP END CRITICAL (critical_reserve_block2d)
+#endif
+            matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
+            matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + row_size*col_size
+         ELSE
+            IF (.NOT. gift) THEN
+               DEALLOCATE (data_block%p)
+            ELSE
+               DEALLOCATE (original_block)
+            END IF
+            block => data_block2%p
+         END IF
+         IF (PRESENT(existed)) existed = found
       END SUBROUTINE dbcsr_reserve_block2d_c
 
    
 
diff --git a/develop/proc/dbcsr_reserve_block2d_d.html b/develop/proc/dbcsr_reserve_block2d_d.html
index ebdaa4c9880..2b461f02855 100644
--- a/develop/proc/dbcsr_reserve_block2d_d.html
+++ b/develop/proc/dbcsr_reserve_block2d_d.html
@@ -74,20 +74,20 @@ 
    dbcsr_reserve_block2d_d
 
             
  • 
               59 statements
+                 title=" 0.0% of total for procedures.">8 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,7 +143,6 @@

    private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transpo

    -

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,7 +243,7 @@

    Arguments

    @@ -266,97 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_reserve_block2d_d (matrix, row, col, block, &
-                                                      transposed, existed)
-     !! Put a 2-D block in a DBCSR matrix using the btree
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_reserve_block2d_d (matrix, row, col, block, transposed, existed)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         REAL(kind=real_8), DIMENSION(:, :), POINTER         :: block
-        !! the block to reserve; added if not NULL
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
-        !! the block holds transposed data
+         REAL(kind=real_8), DIMENSION(:, :), POINTER        :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
          LOGICAL, INTENT(OUT), OPTIONAL           :: existed
-        !! block already existed
-
-         TYPE(btree_data_dp2d)          :: data_block, data_block2
-         INTEGER                                  :: col_size, row_size, &
-                                                     stored_row, stored_col, &
-                                                     iw, nwms
-         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size
-         LOGICAL                                  :: found, gift, tr, sym_tr
-         REAL(kind=real_8), DIMENSION(:, :), POINTER         :: original_block
-
-!   ---------------------------------------------------------------------------
-
-         gift = ASSOCIATED(block)
-         IF (gift) THEN
-            original_block => block
-         ELSE
-            NULLIFY (original_block)
-         END IF
-         row_blk_size => array_data(matrix%row_blk_size)
-         col_blk_size => array_data(matrix%col_blk_size)
-         row_size = row_blk_size(row)
-         col_size = col_blk_size(col)
-
-         stored_row = row; stored_col = col
-         IF (PRESENT(transposed)) THEN
-            tr = transposed
-         ELSE
-            tr = .FALSE.
-         END IF
-         sym_tr = .FALSE.
-         CALL dbcsr_get_stored_coordinates(matrix, stored_row, stored_col)
-         IF (.NOT. ASSOCIATED(matrix%wms)) THEN
-            CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
-!$OMP        MASTER
-            matrix%valid = .FALSE.
-!$OMP        END MASTER
-!$OMP        BARRIER
-         END IF
-
-         NULLIFY (data_block%p)
-         IF (.NOT. gift) THEN
-            ALLOCATE (data_block%p(row_size, col_size))
-            block => data_block%p
-         ELSE
-            data_block%p => block
-         END IF
-         data_block%tr = tr
-
-         nwms = SIZE(matrix%wms)
-         iw = 1
-!$       IF (nwms < omp_get_num_threads()) &
-!$          DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$       iw = omp_get_thread_num() + 1
-         CALL btree_add(matrix%wms(iw)%mutable%m%btree_d, &
-                        make_coordinate_tuple(stored_row, stored_col), &
-                        data_block, found, data_block2)
 
-         IF (.NOT. found) THEN
-#if defined(_OPENMP) && (200711 <= _OPENMP)
-!$OMP ATOMIC WRITE
-            matrix%valid = .FALSE.
-#else
-!$OMP CRITICAL (critical_reserve_block2d)
-            matrix%valid = .FALSE.
-!$OMP END CRITICAL (critical_reserve_block2d)
-#endif
-            matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
-            matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + row_size*col_size
-         ELSE
-            IF (.NOT. gift) THEN
-               DEALLOCATE (data_block%p)
-            ELSE
-               DEALLOCATE (original_block)
-            END IF
-            block => data_block2%p
-         END IF
-         IF (PRESENT(existed)) existed = found
+         CALL dbcsr_reserve_block2d_prv(matrix%prv, row, col, block, &
+                                        transposed, existed)
       END SUBROUTINE dbcsr_reserve_block2d_d
 
    
 
diff --git a/develop/proc/dbcsr_reserve_block2d_d~2.html b/develop/proc/dbcsr_reserve_block2d_d~2.html
index 6ce36b795b6..5638bcc3406 100644
--- a/develop/proc/dbcsr_reserve_block2d_d~2.html
+++ b/develop/proc/dbcsr_reserve_block2d_d~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_reserve_block2d_d
 
             
  • 
               8 statements
+                 title=" 0.1% of total for procedures.">59 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,6 +143,7 @@

    private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transpo

    +

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,7 +231,7 @@

    Arguments

    @@ -243,7 +246,7 @@

    Arguments

    @@ -263,15 +266,97 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_reserve_block2d_d (matrix, row, col, block, transposed, existed)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_reserve_block2d_d (matrix, row, col, block, &
+                                                      transposed, existed)
+     !! Put a 2-D block in a DBCSR matrix using the btree
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         REAL(kind=real_8), DIMENSION(:, :), POINTER        :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
+        !! the row
+        !! the column
+         REAL(kind=real_8), DIMENSION(:, :), POINTER         :: block
+        !! the block to reserve; added if not NULL
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
+        !! the block holds transposed data
          LOGICAL, INTENT(OUT), OPTIONAL           :: existed
+        !! block already existed
+
+         TYPE(btree_data_dp2d)          :: data_block, data_block2
+         INTEGER                                  :: col_size, row_size, &
+                                                     stored_row, stored_col, &
+                                                     iw, nwms
+         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size
+         LOGICAL                                  :: found, gift, tr, sym_tr
+         REAL(kind=real_8), DIMENSION(:, :), POINTER         :: original_block
+
+!   ---------------------------------------------------------------------------
+
+         gift = ASSOCIATED(block)
+         IF (gift) THEN
+            original_block => block
+         ELSE
+            NULLIFY (original_block)
+         END IF
+         row_blk_size => array_data(matrix%row_blk_size)
+         col_blk_size => array_data(matrix%col_blk_size)
+         row_size = row_blk_size(row)
+         col_size = col_blk_size(col)
+
+         stored_row = row; stored_col = col
+         IF (PRESENT(transposed)) THEN
+            tr = transposed
+         ELSE
+            tr = .FALSE.
+         END IF
+         sym_tr = .FALSE.
+         CALL dbcsr_get_stored_coordinates(matrix, stored_row, stored_col)
+         IF (.NOT. ASSOCIATED(matrix%wms)) THEN
+            CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
+!$OMP        MASTER
+            matrix%valid = .FALSE.
+!$OMP        END MASTER
+!$OMP        BARRIER
+         END IF
+
+         NULLIFY (data_block%p)
+         IF (.NOT. gift) THEN
+            ALLOCATE (data_block%p(row_size, col_size))
+            block => data_block%p
+         ELSE
+            data_block%p => block
+         END IF
+         data_block%tr = tr
+
+         nwms = SIZE(matrix%wms)
+         iw = 1
+!$       IF (nwms < omp_get_num_threads()) &
+!$          DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$       iw = omp_get_thread_num() + 1
+         CALL btree_add(matrix%wms(iw)%mutable%m%btree_d, &
+                        make_coordinate_tuple(stored_row, stored_col), &
+                        data_block, found, data_block2)
 
-         CALL dbcsr_reserve_block2d_prv(matrix%prv, row, col, block, &
-                                        transposed, existed)
+         IF (.NOT. found) THEN
+#if defined(_OPENMP) && (200711 <= _OPENMP)
+!$OMP ATOMIC WRITE
+            matrix%valid = .FALSE.
+#else
+!$OMP CRITICAL (critical_reserve_block2d)
+            matrix%valid = .FALSE.
+!$OMP END CRITICAL (critical_reserve_block2d)
+#endif
+            matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
+            matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + row_size*col_size
+         ELSE
+            IF (.NOT. gift) THEN
+               DEALLOCATE (data_block%p)
+            ELSE
+               DEALLOCATE (original_block)
+            END IF
+            block => data_block2%p
+         END IF
+         IF (PRESENT(existed)) existed = found
       END SUBROUTINE dbcsr_reserve_block2d_d
 
    
 
diff --git a/develop/proc/dbcsr_reserve_block2d_s.html b/develop/proc/dbcsr_reserve_block2d_s.html
index 31372c3b2f0..3475a26dce0 100644
--- a/develop/proc/dbcsr_reserve_block2d_s.html
+++ b/develop/proc/dbcsr_reserve_block2d_s.html
@@ -74,20 +74,20 @@ 
    dbcsr_reserve_block2d_s
 
             
  • 
               59 statements
+                 title=" 0.0% of total for procedures.">8 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,7 +143,6 @@

    private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transpo

    -

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,7 +243,7 @@

    Arguments

    @@ -266,97 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_reserve_block2d_s (matrix, row, col, block, &
-                                                      transposed, existed)
-     !! Put a 2-D block in a DBCSR matrix using the btree
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_reserve_block2d_s (matrix, row, col, block, transposed, existed)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         REAL(kind=real_4), DIMENSION(:, :), POINTER         :: block
-        !! the block to reserve; added if not NULL
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
-        !! the block holds transposed data
+         REAL(kind=real_4), DIMENSION(:, :), POINTER        :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
          LOGICAL, INTENT(OUT), OPTIONAL           :: existed
-        !! block already existed
-
-         TYPE(btree_data_sp2d)          :: data_block, data_block2
-         INTEGER                                  :: col_size, row_size, &
-                                                     stored_row, stored_col, &
-                                                     iw, nwms
-         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size
-         LOGICAL                                  :: found, gift, tr, sym_tr
-         REAL(kind=real_4), DIMENSION(:, :), POINTER         :: original_block
-
-!   ---------------------------------------------------------------------------
-
-         gift = ASSOCIATED(block)
-         IF (gift) THEN
-            original_block => block
-         ELSE
-            NULLIFY (original_block)
-         END IF
-         row_blk_size => array_data(matrix%row_blk_size)
-         col_blk_size => array_data(matrix%col_blk_size)
-         row_size = row_blk_size(row)
-         col_size = col_blk_size(col)
-
-         stored_row = row; stored_col = col
-         IF (PRESENT(transposed)) THEN
-            tr = transposed
-         ELSE
-            tr = .FALSE.
-         END IF
-         sym_tr = .FALSE.
-         CALL dbcsr_get_stored_coordinates(matrix, stored_row, stored_col)
-         IF (.NOT. ASSOCIATED(matrix%wms)) THEN
-            CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
-!$OMP        MASTER
-            matrix%valid = .FALSE.
-!$OMP        END MASTER
-!$OMP        BARRIER
-         END IF
-
-         NULLIFY (data_block%p)
-         IF (.NOT. gift) THEN
-            ALLOCATE (data_block%p(row_size, col_size))
-            block => data_block%p
-         ELSE
-            data_block%p => block
-         END IF
-         data_block%tr = tr
-
-         nwms = SIZE(matrix%wms)
-         iw = 1
-!$       IF (nwms < omp_get_num_threads()) &
-!$          DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$       iw = omp_get_thread_num() + 1
-         CALL btree_add(matrix%wms(iw)%mutable%m%btree_s, &
-                        make_coordinate_tuple(stored_row, stored_col), &
-                        data_block, found, data_block2)
 
-         IF (.NOT. found) THEN
-#if defined(_OPENMP) && (200711 <= _OPENMP)
-!$OMP ATOMIC WRITE
-            matrix%valid = .FALSE.
-#else
-!$OMP CRITICAL (critical_reserve_block2d)
-            matrix%valid = .FALSE.
-!$OMP END CRITICAL (critical_reserve_block2d)
-#endif
-            matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
-            matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + row_size*col_size
-         ELSE
-            IF (.NOT. gift) THEN
-               DEALLOCATE (data_block%p)
-            ELSE
-               DEALLOCATE (original_block)
-            END IF
-            block => data_block2%p
-         END IF
-         IF (PRESENT(existed)) existed = found
+         CALL dbcsr_reserve_block2d_prv(matrix%prv, row, col, block, &
+                                        transposed, existed)
       END SUBROUTINE dbcsr_reserve_block2d_s
 
    
 
diff --git a/develop/proc/dbcsr_reserve_block2d_s~2.html b/develop/proc/dbcsr_reserve_block2d_s~2.html
index 3e88720f793..0ad91437b20 100644
--- a/develop/proc/dbcsr_reserve_block2d_s~2.html
+++ b/develop/proc/dbcsr_reserve_block2d_s~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_reserve_block2d_s
 
             
  • 
               8 statements
+                 title=" 0.1% of total for procedures.">59 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,6 +143,7 @@

    private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transpo

    +

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,7 +231,7 @@

    Arguments

    @@ -243,7 +246,7 @@

    Arguments

    @@ -263,15 +266,97 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_reserve_block2d_s (matrix, row, col, block, transposed, existed)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_reserve_block2d_s (matrix, row, col, block, &
+                                                      transposed, existed)
+     !! Put a 2-D block in a DBCSR matrix using the btree
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         REAL(kind=real_4), DIMENSION(:, :), POINTER        :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
+        !! the row
+        !! the column
+         REAL(kind=real_4), DIMENSION(:, :), POINTER         :: block
+        !! the block to reserve; added if not NULL
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
+        !! the block holds transposed data
          LOGICAL, INTENT(OUT), OPTIONAL           :: existed
+        !! block already existed
+
+         TYPE(btree_data_sp2d)          :: data_block, data_block2
+         INTEGER                                  :: col_size, row_size, &
+                                                     stored_row, stored_col, &
+                                                     iw, nwms
+         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size
+         LOGICAL                                  :: found, gift, tr, sym_tr
+         REAL(kind=real_4), DIMENSION(:, :), POINTER         :: original_block
+
+!   ---------------------------------------------------------------------------
+
+         gift = ASSOCIATED(block)
+         IF (gift) THEN
+            original_block => block
+         ELSE
+            NULLIFY (original_block)
+         END IF
+         row_blk_size => array_data(matrix%row_blk_size)
+         col_blk_size => array_data(matrix%col_blk_size)
+         row_size = row_blk_size(row)
+         col_size = col_blk_size(col)
+
+         stored_row = row; stored_col = col
+         IF (PRESENT(transposed)) THEN
+            tr = transposed
+         ELSE
+            tr = .FALSE.
+         END IF
+         sym_tr = .FALSE.
+         CALL dbcsr_get_stored_coordinates(matrix, stored_row, stored_col)
+         IF (.NOT. ASSOCIATED(matrix%wms)) THEN
+            CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
+!$OMP        MASTER
+            matrix%valid = .FALSE.
+!$OMP        END MASTER
+!$OMP        BARRIER
+         END IF
+
+         NULLIFY (data_block%p)
+         IF (.NOT. gift) THEN
+            ALLOCATE (data_block%p(row_size, col_size))
+            block => data_block%p
+         ELSE
+            data_block%p => block
+         END IF
+         data_block%tr = tr
+
+         nwms = SIZE(matrix%wms)
+         iw = 1
+!$       IF (nwms < omp_get_num_threads()) &
+!$          DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$       iw = omp_get_thread_num() + 1
+         CALL btree_add(matrix%wms(iw)%mutable%m%btree_s, &
+                        make_coordinate_tuple(stored_row, stored_col), &
+                        data_block, found, data_block2)
 
-         CALL dbcsr_reserve_block2d_prv(matrix%prv, row, col, block, &
-                                        transposed, existed)
+         IF (.NOT. found) THEN
+#if defined(_OPENMP) && (200711 <= _OPENMP)
+!$OMP ATOMIC WRITE
+            matrix%valid = .FALSE.
+#else
+!$OMP CRITICAL (critical_reserve_block2d)
+            matrix%valid = .FALSE.
+!$OMP END CRITICAL (critical_reserve_block2d)
+#endif
+            matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
+            matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + row_size*col_size
+         ELSE
+            IF (.NOT. gift) THEN
+               DEALLOCATE (data_block%p)
+            ELSE
+               DEALLOCATE (original_block)
+            END IF
+            block => data_block2%p
+         END IF
+         IF (PRESENT(existed)) existed = found
       END SUBROUTINE dbcsr_reserve_block2d_s
 
    
 
diff --git a/develop/proc/dbcsr_reserve_block2d_z.html b/develop/proc/dbcsr_reserve_block2d_z.html
index 21d06fded74..475c613f378 100644
--- a/develop/proc/dbcsr_reserve_block2d_z.html
+++ b/develop/proc/dbcsr_reserve_block2d_z.html
@@ -74,20 +74,20 @@ 
    dbcsr_reserve_block2d_z
 
             
  • 
               59 statements
+                 title=" 0.0% of total for procedures.">8 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,7 +143,6 @@

    private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transpo

    -

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -184,13 +183,12 @@

    Arguments

    @@ -200,13 +198,12 @@

    Arguments

    @@ -216,12 +213,12 @@

    Arguments

    @@ -231,12 +228,12 @@

    Arguments

    @@ -246,7 +243,7 @@

    Arguments

    @@ -266,97 +263,15 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_reserve_block2d_z (matrix, row, col, block, &
-                                                      transposed, existed)
-     !! Put a 2-D block in a DBCSR matrix using the btree
-
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
-        !! DBCSR matrix
+    
          SUBROUTINE dbcsr_reserve_block2d_z (matrix, row, col, block, transposed, existed)
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
          INTEGER, INTENT(IN)                      :: row, col
-        !! the row
-        !! the column
-         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER         :: block
-        !! the block to reserve; added if not NULL
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
-        !! the block holds transposed data
+         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER        :: block
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
          LOGICAL, INTENT(OUT), OPTIONAL           :: existed
-        !! block already existed
-
-         TYPE(btree_data_zp2d)          :: data_block, data_block2
-         INTEGER                                  :: col_size, row_size, &
-                                                     stored_row, stored_col, &
-                                                     iw, nwms
-         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size
-         LOGICAL                                  :: found, gift, tr, sym_tr
-         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER         :: original_block
-
-!   ---------------------------------------------------------------------------
-
-         gift = ASSOCIATED(block)
-         IF (gift) THEN
-            original_block => block
-         ELSE
-            NULLIFY (original_block)
-         END IF
-         row_blk_size => array_data(matrix%row_blk_size)
-         col_blk_size => array_data(matrix%col_blk_size)
-         row_size = row_blk_size(row)
-         col_size = col_blk_size(col)
-
-         stored_row = row; stored_col = col
-         IF (PRESENT(transposed)) THEN
-            tr = transposed
-         ELSE
-            tr = .FALSE.
-         END IF
-         sym_tr = .FALSE.
-         CALL dbcsr_get_stored_coordinates(matrix, stored_row, stored_col)
-         IF (.NOT. ASSOCIATED(matrix%wms)) THEN
-            CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
-!$OMP        MASTER
-            matrix%valid = .FALSE.
-!$OMP        END MASTER
-!$OMP        BARRIER
-         END IF
-
-         NULLIFY (data_block%p)
-         IF (.NOT. gift) THEN
-            ALLOCATE (data_block%p(row_size, col_size))
-            block => data_block%p
-         ELSE
-            data_block%p => block
-         END IF
-         data_block%tr = tr
-
-         nwms = SIZE(matrix%wms)
-         iw = 1
-!$       IF (nwms < omp_get_num_threads()) &
-!$          DBCSR_ABORT("Number of work matrices not equal to number of threads")
-!$       iw = omp_get_thread_num() + 1
-         CALL btree_add(matrix%wms(iw)%mutable%m%btree_z, &
-                        make_coordinate_tuple(stored_row, stored_col), &
-                        data_block, found, data_block2)
 
-         IF (.NOT. found) THEN
-#if defined(_OPENMP) && (200711 <= _OPENMP)
-!$OMP ATOMIC WRITE
-            matrix%valid = .FALSE.
-#else
-!$OMP CRITICAL (critical_reserve_block2d)
-            matrix%valid = .FALSE.
-!$OMP END CRITICAL (critical_reserve_block2d)
-#endif
-            matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
-            matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + row_size*col_size
-         ELSE
-            IF (.NOT. gift) THEN
-               DEALLOCATE (data_block%p)
-            ELSE
-               DEALLOCATE (original_block)
-            END IF
-            block => data_block2%p
-         END IF
-         IF (PRESENT(existed)) existed = found
+         CALL dbcsr_reserve_block2d_prv(matrix%prv, row, col, block, &
+                                        transposed, existed)
       END SUBROUTINE dbcsr_reserve_block2d_z
 
    
 
diff --git a/develop/proc/dbcsr_reserve_block2d_z~2.html b/develop/proc/dbcsr_reserve_block2d_z~2.html
index d0a5e845649..15eaceb252a 100644
--- a/develop/proc/dbcsr_reserve_block2d_z~2.html
+++ b/develop/proc/dbcsr_reserve_block2d_z~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_reserve_block2d_z
 
             
  • 
               8 statements
+                 title=" 0.1% of total for procedures.">59 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,6 +143,7 @@

    private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transpo

    +

    Put a 2-D block in a DBCSR matrix using the btree

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -183,12 +184,13 @@

    Arguments

    @@ -198,12 +200,13 @@

    Arguments

    @@ -213,12 +216,12 @@

    Arguments

    @@ -228,7 +231,7 @@

    Arguments

    @@ -243,7 +246,7 @@

    Arguments

    @@ -263,15 +266,97 @@

    Arguments

    Source Code

    - 
          SUBROUTINE dbcsr_reserve_block2d_z (matrix, row, col, block, transposed, existed)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix
+    
          SUBROUTINE dbcsr_reserve_block2d_z (matrix, row, col, block, &
+                                                      transposed, existed)
+     !! Put a 2-D block in a DBCSR matrix using the btree
+
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+        !! DBCSR matrix
          INTEGER, INTENT(IN)                      :: row, col
-         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER        :: block
-         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
+        !! the row
+        !! the column
+         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER         :: block
+        !! the block to reserve; added if not NULL
+         LOGICAL, INTENT(IN), OPTIONAL            :: transposed
+        !! the block holds transposed data
          LOGICAL, INTENT(OUT), OPTIONAL           :: existed
+        !! block already existed
+
+         TYPE(btree_data_zp2d)          :: data_block, data_block2
+         INTEGER                                  :: col_size, row_size, &
+                                                     stored_row, stored_col, &
+                                                     iw, nwms
+         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size
+         LOGICAL                                  :: found, gift, tr, sym_tr
+         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER         :: original_block
+
+!   ---------------------------------------------------------------------------
+
+         gift = ASSOCIATED(block)
+         IF (gift) THEN
+            original_block => block
+         ELSE
+            NULLIFY (original_block)
+         END IF
+         row_blk_size => array_data(matrix%row_blk_size)
+         col_blk_size => array_data(matrix%col_blk_size)
+         row_size = row_blk_size(row)
+         col_size = col_blk_size(col)
+
+         stored_row = row; stored_col = col
+         IF (PRESENT(transposed)) THEN
+            tr = transposed
+         ELSE
+            tr = .FALSE.
+         END IF
+         sym_tr = .FALSE.
+         CALL dbcsr_get_stored_coordinates(matrix, stored_row, stored_col)
+         IF (.NOT. ASSOCIATED(matrix%wms)) THEN
+            CALL dbcsr_work_create(matrix, work_mutable=.TRUE.)
+!$OMP        MASTER
+            matrix%valid = .FALSE.
+!$OMP        END MASTER
+!$OMP        BARRIER
+         END IF
+
+         NULLIFY (data_block%p)
+         IF (.NOT. gift) THEN
+            ALLOCATE (data_block%p(row_size, col_size))
+            block => data_block%p
+         ELSE
+            data_block%p => block
+         END IF
+         data_block%tr = tr
+
+         nwms = SIZE(matrix%wms)
+         iw = 1
+!$       IF (nwms < omp_get_num_threads()) &
+!$          DBCSR_ABORT("Number of work matrices not equal to number of threads")
+!$       iw = omp_get_thread_num() + 1
+         CALL btree_add(matrix%wms(iw)%mutable%m%btree_z, &
+                        make_coordinate_tuple(stored_row, stored_col), &
+                        data_block, found, data_block2)
 
-         CALL dbcsr_reserve_block2d_prv(matrix%prv, row, col, block, &
-                                        transposed, existed)
+         IF (.NOT. found) THEN
+#if defined(_OPENMP) && (200711 <= _OPENMP)
+!$OMP ATOMIC WRITE
+            matrix%valid = .FALSE.
+#else
+!$OMP CRITICAL (critical_reserve_block2d)
+            matrix%valid = .FALSE.
+!$OMP END CRITICAL (critical_reserve_block2d)
+#endif
+            matrix%wms(iw)%lastblk = matrix%wms(iw)%lastblk + 1
+            matrix%wms(iw)%datasize = matrix%wms(iw)%datasize + row_size*col_size
+         ELSE
+            IF (.NOT. gift) THEN
+               DEALLOCATE (data_block%p)
+            ELSE
+               DEALLOCATE (original_block)
+            END IF
+            block => data_block2%p
+         END IF
+         IF (PRESENT(existed)) existed = found
       END SUBROUTINE dbcsr_reserve_block2d_z
 
    
 
diff --git a/develop/proc/dbcsr_reserve_blocks.html b/develop/proc/dbcsr_reserve_blocks.html
index d443aa189d9..1c990bcae54 100644
--- a/develop/proc/dbcsr_reserve_blocks.html
+++ b/develop/proc/dbcsr_reserve_blocks.html
@@ -74,20 +74,20 @@ 
    dbcsr_reserve_blocks
 
             
  • 
               80 statements
+                 title=" 0.0% of total for procedures.">6 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,20 +139,10 @@

    Contents

    -

    public subroutine dbcsr_reserve_blocks(matrix, rows, columns, blk_pointers) +

    public subroutine dbcsr_reserve_blocks(matrix, rows, cols, blk_pointers)

    -

    Inserts block reservations into a matrix, avoiding the work matrix.

    -

    Data -No data can be specified; instead, space is reserved and zeroed. To -add data, call dbcsr_put_block afterwards.

    -

    Reserving existing blocks -Duplicates are not added, but allocations may be greater than -the minimum necessary.

    -

    blk_pointers -When blk_pointers is passed, the newly added blocks use these pointers. -No data is cleared in this case

    Arguments

    @@ -168,8 +158,8 @@

    Arguments

    @@ -193,13 +183,12 @@

    Arguments

    @@ -207,10 +196,9 @@

    Arguments

    DIMENSION(:) - + @@ -225,7 +213,7 @@

    Arguments

    @@ -245,141 +233,12 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_reserve_blocks(matrix, rows, columns, blk_pointers)
-      !! Inserts block reservations into a matrix, avoiding the work matrix.
-      !!
-      !! Data
-      !! No data can be specified; instead, space is reserved and zeroed. To
-      !! add data, call dbcsr_put_block afterwards.
-      !!
-      !! Reserving existing blocks
-      !! Duplicates are not added, but allocations may be greater than
-      !! the minimum necessary.
-      !!
-      !! blk_pointers
-      !! When blk_pointers is passed, the newly added blocks use these pointers.
-      !! No data is cleared in this case
-
+    
       SUBROUTINE dbcsr_reserve_blocks(matrix, rows, cols, blk_pointers)
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         !! Matrix into which blocks should be added.
-      INTEGER, DIMENSION(:), INTENT(IN)                  :: rows, columns
-         !! Rows of the blocks to add
-         !! Columns of the blocks to add
+      INTEGER, DIMENSION(:), INTENT(IN)                  :: rows, cols
       INTEGER, DIMENSION(:), INTENT(IN), OPTIONAL        :: blk_pointers
-         !! block pointers to use for new blocks
-
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_reserve_blocks'
-
-      INTEGER :: blk, blk_p, data_size_new, data_size_old, handle, nblkrows, nblks_actual_added, &
-                 nblks_added, nblks_new, nblks_old, new_data_sizes, nze
-      INTEGER, ALLOCATABLE, DIMENSION(:)                 :: add_blkp, add_cols, add_rows, &
-                                                            added_sizes, new_blk_p, new_col_i, &
-                                                            new_row_i, old_row_i
-      INTEGER, ALLOCATABLE, DIMENSION(:, :)              :: added_blk_info
-
-!   ---------------------------------------------------------------------------
 
-      CALL timeset(routineN, handle)
-      IF (SIZE(rows) /= SIZE(columns)) &
-         DBCSR_ABORT("Size of rows and columns array must match.")
-      IF (PRESENT(blk_pointers)) THEN
-         IF (SIZE(rows) /= SIZE(blk_pointers)) &
-            DBCSR_ABORT("Size of rows and block pointecs arrays must match.")
-         data_size_old = 0
-      ELSE
-         ! Get current data size
-         data_size_old = dbcsr_data_get_size_referenced(matrix%data_area)
-      END IF
-      ! Ensures that the rows and columns are sorted.
-      nblks_added = SIZE(rows)
-      ALLOCATE (add_rows(nblks_added))
-      add_rows(:) = rows(:)
-      ALLOCATE (add_cols(nblks_added))
-      add_cols(:) = columns(:)
-      IF (PRESENT(blk_pointers)) THEN
-         ALLOCATE (add_blkp(nblks_added))
-         add_blkp(:) = blk_pointers(:)
-         CALL dbcsr_sort_indices(nblks_added, add_rows, add_cols, &
-                                 blk_p=add_blkp)
-      ELSE
-         CALL dbcsr_sort_indices(nblks_added, add_rows, add_cols)
-      END IF
-      nblks_old = dbcsr_get_num_blocks(matrix)
-      nblkrows = dbcsr_nblkrows_total(matrix)
-      IF (SIZE(rows) .GT. 0 .AND. nblkrows .LE. 0) &
-         DBCSR_ABORT("Can not add blocks to matrix with no rows.")
-      ! Adjust the index.
-      ! Get the old row indices
-      ALLOCATE (old_row_i(nblks_old))
-      CALL dbcsr_expand_row_index(matrix%row_p, old_row_i, &
-                                  nblkrows, nblks_old)
-      ! Calculate new block pointers. Possibly high estimates.
-      new_data_sizes = 0
-      blk_p = data_size_old + 1 ! New blocks start at the end of the old
-      ALLOCATE (added_blk_info(3, nblks_added))
-      ALLOCATE (added_sizes(nblks_added))
-      DO blk = 1, nblks_added
-         IF (PRESENT(blk_pointers)) THEN
-            blk_p = add_blkp(blk)
-         END IF
-         added_blk_info(1:3, blk) = (/add_rows(blk), add_cols(blk), blk_p/)
-         nze = dbcsr_blk_row_size(matrix, add_rows(blk)) &
-               *dbcsr_blk_column_size(matrix, add_cols(blk))
-         added_sizes(blk) = nze
-         blk_p = blk_p + nze
-      END DO
-      DEALLOCATE (add_rows)
-      DEALLOCATE (add_cols)
-      IF (PRESENT(blk_pointers)) DEALLOCATE (add_blkp)
-      !
-      nblks_new = nblks_old + nblks_added ! Possibly high estimate
-      ALLOCATE (new_row_i(nblks_new))
-      ALLOCATE (new_col_i(nblks_new))
-      ALLOCATE (new_blk_p(nblks_new))
-      ! Merge the two indices
-      IF (PRESENT(blk_pointers)) THEN
-         CALL merge_index_arrays(new_row_i, new_col_i, new_blk_p, nblks_new, &
-                                 old_row_i, matrix%col_i, matrix%blk_p, nblks_old, &
-                                 added_blk_info, nblks_added, added_nblks=nblks_actual_added)
-         data_size_new = 0
-      ELSE
-         CALL merge_index_arrays(new_row_i, new_col_i, new_blk_p, nblks_new, &
-                                 old_row_i, matrix%col_i, matrix%blk_p, nblks_old, &
-                                 added_blk_info, nblks_added, added_nblks=nblks_actual_added, &
-                                 added_sizes=added_sizes, added_size_offset=data_size_old + 1, &
-                                 added_size=data_size_new)
-      END IF
-      nblks_new = nblks_actual_added + nblks_old
-      ! Free some memory
-      DEALLOCATE (added_blk_info)
-      DEALLOCATE (added_sizes)
-      DEALLOCATE (old_row_i)
-      ! We can skip this if no block was actually added.
-      IF (nblks_actual_added .GT. 0) THEN
-         ! Write the new index
-         matrix%nblks = nblks_new
-         matrix%nze = matrix%nze + data_size_new
-         matrix%index(dbcsr_slot_nblks) = matrix%nblks
-         matrix%index(dbcsr_slot_nze) = matrix%index(dbcsr_slot_nze)
-         CALL dbcsr_clearfrom_index_array(matrix, dbcsr_slot_col_i)
-         CALL dbcsr_clearfrom_index_array(matrix, dbcsr_slot_blk_p)
-         CALL dbcsr_addto_index_array(matrix, dbcsr_slot_col_i, &
-                                      new_col_i(1:nblks_new), &
-                                      extra=nblks_new)
-         CALL dbcsr_addto_index_array(matrix, dbcsr_slot_blk_p, &
-                                      new_blk_p(1:nblks_new))
-         CALL dbcsr_make_dbcsr_index(matrix%row_p, new_row_i(1:nblks_new), &
-                                     nblkrows, nblks_new)
-         IF (.NOT. PRESENT(blk_pointers)) THEN
-            ! Resize data area to fit the new blocks.
-            CALL dbcsr_data_ensure_size(matrix%data_area, &
-                                        data_size=matrix%nze)
-            ! Zero the new data blocks.
-            CALL dbcsr_data_clear(matrix%data_area, &
-                                  lb=data_size_old + 1, ub=matrix%nze)
-         END IF
-      END IF
-      CALL timestop(handle)
+      CALL dbcsr_reserve_blocks_prv(matrix%prv, rows, cols, blk_pointers)
    END SUBROUTINE dbcsr_reserve_blocks
 
    
 
diff --git a/develop/proc/dbcsr_reserve_blocks~2.html b/develop/proc/dbcsr_reserve_blocks~2.html
index b3f1d048d98..223b5a42ad9 100644
--- a/develop/proc/dbcsr_reserve_blocks~2.html
+++ b/develop/proc/dbcsr_reserve_blocks~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_reserve_blocks
 
             
  • 
               6 statements
+                 title=" 0.1% of total for procedures.">80 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,20 @@

    Contents

    -

    public subroutine dbcsr_reserve_blocks(matrix, rows, cols, blk_pointers) +

    public subroutine dbcsr_reserve_blocks(matrix, rows, columns, blk_pointers)

    +

    Inserts block reservations into a matrix, avoiding the work matrix.

    +

    Data +No data can be specified; instead, space is reserved and zeroed. To +add data, call dbcsr_put_block afterwards.

    +

    Reserving existing blocks +Duplicates are not added, but allocations may be greater than +the minimum necessary.

    +

    blk_pointers +When blk_pointers is passed, the newly added blocks use these pointers. +No data is cleared in this case

    Arguments

    @@ -158,8 +168,8 @@

    Arguments

    @@ -183,12 +193,13 @@

    Arguments

    @@ -196,9 +207,10 @@

    Arguments

    DIMENSION(:) - + @@ -213,7 +225,7 @@

    Arguments

    @@ -233,12 +245,141 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_reserve_blocks(matrix, rows, cols, blk_pointers)
+    
       SUBROUTINE dbcsr_reserve_blocks(matrix, rows, columns, blk_pointers)
+      !! Inserts block reservations into a matrix, avoiding the work matrix.
+      !!
+      !! Data
+      !! No data can be specified; instead, space is reserved and zeroed. To
+      !! add data, call dbcsr_put_block afterwards.
+      !!
+      !! Reserving existing blocks
+      !! Duplicates are not added, but allocations may be greater than
+      !! the minimum necessary.
+      !!
+      !! blk_pointers
+      !! When blk_pointers is passed, the newly added blocks use these pointers.
+      !! No data is cleared in this case
+
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-      INTEGER, DIMENSION(:), INTENT(IN)                  :: rows, cols
+         !! Matrix into which blocks should be added.
+      INTEGER, DIMENSION(:), INTENT(IN)                  :: rows, columns
+         !! Rows of the blocks to add
+         !! Columns of the blocks to add
       INTEGER, DIMENSION(:), INTENT(IN), OPTIONAL        :: blk_pointers
+         !! block pointers to use for new blocks
+
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_reserve_blocks'
+
+      INTEGER :: blk, blk_p, data_size_new, data_size_old, handle, nblkrows, nblks_actual_added, &
+                 nblks_added, nblks_new, nblks_old, new_data_sizes, nze
+      INTEGER, ALLOCATABLE, DIMENSION(:)                 :: add_blkp, add_cols, add_rows, &
+                                                            added_sizes, new_blk_p, new_col_i, &
+                                                            new_row_i, old_row_i
+      INTEGER, ALLOCATABLE, DIMENSION(:, :)              :: added_blk_info
+
+!   ---------------------------------------------------------------------------
 
-      CALL dbcsr_reserve_blocks_prv(matrix%prv, rows, cols, blk_pointers)
+      CALL timeset(routineN, handle)
+      IF (SIZE(rows) /= SIZE(columns)) &
+         DBCSR_ABORT("Size of rows and columns array must match.")
+      IF (PRESENT(blk_pointers)) THEN
+         IF (SIZE(rows) /= SIZE(blk_pointers)) &
+            DBCSR_ABORT("Size of rows and block pointecs arrays must match.")
+         data_size_old = 0
+      ELSE
+         ! Get current data size
+         data_size_old = dbcsr_data_get_size_referenced(matrix%data_area)
+      END IF
+      ! Ensures that the rows and columns are sorted.
+      nblks_added = SIZE(rows)
+      ALLOCATE (add_rows(nblks_added))
+      add_rows(:) = rows(:)
+      ALLOCATE (add_cols(nblks_added))
+      add_cols(:) = columns(:)
+      IF (PRESENT(blk_pointers)) THEN
+         ALLOCATE (add_blkp(nblks_added))
+         add_blkp(:) = blk_pointers(:)
+         CALL dbcsr_sort_indices(nblks_added, add_rows, add_cols, &
+                                 blk_p=add_blkp)
+      ELSE
+         CALL dbcsr_sort_indices(nblks_added, add_rows, add_cols)
+      END IF
+      nblks_old = dbcsr_get_num_blocks(matrix)
+      nblkrows = dbcsr_nblkrows_total(matrix)
+      IF (SIZE(rows) .GT. 0 .AND. nblkrows .LE. 0) &
+         DBCSR_ABORT("Can not add blocks to matrix with no rows.")
+      ! Adjust the index.
+      ! Get the old row indices
+      ALLOCATE (old_row_i(nblks_old))
+      CALL dbcsr_expand_row_index(matrix%row_p, old_row_i, &
+                                  nblkrows, nblks_old)
+      ! Calculate new block pointers. Possibly high estimates.
+      new_data_sizes = 0
+      blk_p = data_size_old + 1 ! New blocks start at the end of the old
+      ALLOCATE (added_blk_info(3, nblks_added))
+      ALLOCATE (added_sizes(nblks_added))
+      DO blk = 1, nblks_added
+         IF (PRESENT(blk_pointers)) THEN
+            blk_p = add_blkp(blk)
+         END IF
+         added_blk_info(1:3, blk) = (/add_rows(blk), add_cols(blk), blk_p/)
+         nze = dbcsr_blk_row_size(matrix, add_rows(blk)) &
+               *dbcsr_blk_column_size(matrix, add_cols(blk))
+         added_sizes(blk) = nze
+         blk_p = blk_p + nze
+      END DO
+      DEALLOCATE (add_rows)
+      DEALLOCATE (add_cols)
+      IF (PRESENT(blk_pointers)) DEALLOCATE (add_blkp)
+      !
+      nblks_new = nblks_old + nblks_added ! Possibly high estimate
+      ALLOCATE (new_row_i(nblks_new))
+      ALLOCATE (new_col_i(nblks_new))
+      ALLOCATE (new_blk_p(nblks_new))
+      ! Merge the two indices
+      IF (PRESENT(blk_pointers)) THEN
+         CALL merge_index_arrays(new_row_i, new_col_i, new_blk_p, nblks_new, &
+                                 old_row_i, matrix%col_i, matrix%blk_p, nblks_old, &
+                                 added_blk_info, nblks_added, added_nblks=nblks_actual_added)
+         data_size_new = 0
+      ELSE
+         CALL merge_index_arrays(new_row_i, new_col_i, new_blk_p, nblks_new, &
+                                 old_row_i, matrix%col_i, matrix%blk_p, nblks_old, &
+                                 added_blk_info, nblks_added, added_nblks=nblks_actual_added, &
+                                 added_sizes=added_sizes, added_size_offset=data_size_old + 1, &
+                                 added_size=data_size_new)
+      END IF
+      nblks_new = nblks_actual_added + nblks_old
+      ! Free some memory
+      DEALLOCATE (added_blk_info)
+      DEALLOCATE (added_sizes)
+      DEALLOCATE (old_row_i)
+      ! We can skip this if no block was actually added.
+      IF (nblks_actual_added .GT. 0) THEN
+         ! Write the new index
+         matrix%nblks = nblks_new
+         matrix%nze = matrix%nze + data_size_new
+         matrix%index(dbcsr_slot_nblks) = matrix%nblks
+         matrix%index(dbcsr_slot_nze) = matrix%index(dbcsr_slot_nze)
+         CALL dbcsr_clearfrom_index_array(matrix, dbcsr_slot_col_i)
+         CALL dbcsr_clearfrom_index_array(matrix, dbcsr_slot_blk_p)
+         CALL dbcsr_addto_index_array(matrix, dbcsr_slot_col_i, &
+                                      new_col_i(1:nblks_new), &
+                                      extra=nblks_new)
+         CALL dbcsr_addto_index_array(matrix, dbcsr_slot_blk_p, &
+                                      new_blk_p(1:nblks_new))
+         CALL dbcsr_make_dbcsr_index(matrix%row_p, new_row_i(1:nblks_new), &
+                                     nblkrows, nblks_new)
+         IF (.NOT. PRESENT(blk_pointers)) THEN
+            ! Resize data area to fit the new blocks.
+            CALL dbcsr_data_ensure_size(matrix%data_area, &
+                                        data_size=matrix%nze)
+            ! Zero the new data blocks.
+            CALL dbcsr_data_clear(matrix%data_area, &
+                                  lb=data_size_old + 1, ub=matrix%nze)
+         END IF
+      END IF
+      CALL timestop(handle)
    END SUBROUTINE dbcsr_reserve_blocks
 
    
 
diff --git a/develop/proc/dbcsr_reserve_diag_blocks.html b/develop/proc/dbcsr_reserve_diag_blocks.html
index 826f9e9f4fe..de2576721f7 100644
--- a/develop/proc/dbcsr_reserve_diag_blocks.html
+++ b/develop/proc/dbcsr_reserve_diag_blocks.html
@@ -74,20 +74,20 @@ 
    dbcsr_reserve_diag_blocks
 
             
  • 
               31 statements
+                 title=" 0.0% of total for procedures.">4 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -143,7 +143,6 @@

    public subroutine dbcsr_reserve_diag_blocks(matrix)

    -

    Inserts diagonal blocks of a dbcsr matrix to make it a matrix with at least all diagonal blocks present

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -190,45 +189,9 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_reserve_diag_blocks(matrix)
-      !! Inserts diagonal blocks of a dbcsr matrix to make it a matrix with at least all diagonal blocks present
-
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         !! Matrix into which blocks should be added.
-
-      INTEGER                                            :: blk_count, col, col_s, myrank, rank, &
-                                                            row, row_s
-      INTEGER, ALLOCATABLE, DIMENSION(:)                 :: columns, rows
-      LOGICAL                                            :: tr
-
-      myrank = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
-
-      blk_count = 0
-      ! should be possible to loop only over the local blockrows/blockcols
-      DO row = 1, dbcsr_nblkrows_total(matrix)
-         col = row
-         tr = .FALSE.
-         row_s = row; col_s = col
-         CALL dbcsr_get_stored_coordinates(matrix, row_s, col_s, rank)
-         IF (rank .EQ. myrank .AND. row_s .EQ. row .AND. col_s .EQ. col) blk_count = blk_count + 1
-      END DO
-
-      ALLOCATE (rows(blk_count), columns(blk_count))
-
-      blk_count = 0
-      DO row = 1, dbcsr_nblkrows_total(matrix)
-         col = row
-         tr = .FALSE.
-         row_s = row; col_s = col
-         CALL dbcsr_get_stored_coordinates(matrix, row_s, col_s, rank)
-         IF (rank .EQ. myrank .AND. row_s .EQ. row .AND. col_s .EQ. col) THEN
-            blk_count = blk_count + 1
-            rows(blk_count) = row
-            columns(blk_count) = col
-         END IF
-      END DO
-
-      CALL dbcsr_reserve_blocks(matrix, rows, columns)
 
+      CALL dbcsr_reserve_diag_blocks_prv(matrix%prv)
    END SUBROUTINE dbcsr_reserve_diag_blocks
    diff --git a/develop/proc/dbcsr_reserve_diag_blocks~2.html b/develop/proc/dbcsr_reserve_diag_blocks~2.html index 899077a43f7..fe7e127cad6 100644 --- a/develop/proc/dbcsr_reserve_diag_blocks~2.html +++ b/develop/proc/dbcsr_reserve_diag_blocks~2.html @@ -74,20 +74,20 @@

    dbcsr_reserve_diag_blocks
  • 4 statements + title=" 0.1% of total for procedures.">31 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public subroutine dbcsr_reserve_diag_blocks(matrix)

    +

    Inserts diagonal blocks of a dbcsr matrix to make it a matrix with at least all diagonal blocks present

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -189,9 +190,45 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_reserve_diag_blocks(matrix)
+      !! Inserts diagonal blocks of a dbcsr matrix to make it a matrix with at least all diagonal blocks present
+
       TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
+         !! Matrix into which blocks should be added.
+
+      INTEGER                                            :: blk_count, col, col_s, myrank, rank, &
+                                                            row, row_s
+      INTEGER, ALLOCATABLE, DIMENSION(:)                 :: columns, rows
+      LOGICAL                                            :: tr
+
+      myrank = dbcsr_mp_mynode(dbcsr_distribution_mp(dbcsr_distribution(matrix)))
+
+      blk_count = 0
+      ! should be possible to loop only over the local blockrows/blockcols
+      DO row = 1, dbcsr_nblkrows_total(matrix)
+         col = row
+         tr = .FALSE.
+         row_s = row; col_s = col
+         CALL dbcsr_get_stored_coordinates(matrix, row_s, col_s, rank)
+         IF (rank .EQ. myrank .AND. row_s .EQ. row .AND. col_s .EQ. col) blk_count = blk_count + 1
+      END DO
+
+      ALLOCATE (rows(blk_count), columns(blk_count))
+
+      blk_count = 0
+      DO row = 1, dbcsr_nblkrows_total(matrix)
+         col = row
+         tr = .FALSE.
+         row_s = row; col_s = col
+         CALL dbcsr_get_stored_coordinates(matrix, row_s, col_s, rank)
+         IF (rank .EQ. myrank .AND. row_s .EQ. row .AND. col_s .EQ. col) THEN
+            blk_count = blk_count + 1
+            rows(blk_count) = row
+            columns(blk_count) = col
+         END IF
+      END DO
+
+      CALL dbcsr_reserve_blocks(matrix, rows, columns)
 
-      CALL dbcsr_reserve_diag_blocks_prv(matrix%prv)
    END SUBROUTINE dbcsr_reserve_diag_blocks
    diff --git a/develop/proc/dbcsr_reset_locals.html b/develop/proc/dbcsr_reset_locals.html index 27699f26969..246978b3ee8 100644 --- a/develop/proc/dbcsr_reset_locals.html +++ b/develop/proc/dbcsr_reset_locals.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_reset_vlocals.html b/develop/proc/dbcsr_reset_vlocals.html index 7a7b29bb069..1c0eb9c377d 100644 --- a/develop/proc/dbcsr_reset_vlocals.html +++ b/develop/proc/dbcsr_reset_vlocals.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_rget_any.html b/develop/proc/dbcsr_rget_any.html index b755f431071..35d16b0a91d 100644 --- a/develop/proc/dbcsr_rget_any.html +++ b/develop/proc/dbcsr_rget_any.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr_row_block_offsets.html b/develop/proc/dbcsr_row_block_offsets.html index 1c907928842..5561d5e0b70 100644 --- a/develop/proc/dbcsr_row_block_offsets.html +++ b/develop/proc/dbcsr_row_block_offsets.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_row_block_sizes.html b/develop/proc/dbcsr_row_block_sizes.html index dfa2764436b..956b11758ee 100644 --- a/develop/proc/dbcsr_row_block_sizes.html +++ b/develop/proc/dbcsr_row_block_sizes.html @@ -158,7 +158,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer, DIMENSION(:), POINTER, CONTIGUOUS

    diff --git a/develop/proc/dbcsr_run_tests.html b/develop/proc/dbcsr_run_tests.html index 76b6afafd44..a8cf1aab09f 100644 --- a/develop/proc/dbcsr_run_tests.html +++ b/develop/proc/dbcsr_run_tests.html @@ -160,7 +160,7 @@

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    @@ -397,7 +397,7 @@

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    diff --git a/develop/proc/dbcsr_run_tests~2.html b/develop/proc/dbcsr_run_tests~2.html index 8ced5d67500..694051dea10 100644 --- a/develop/proc/dbcsr_run_tests~2.html +++ b/develop/proc/dbcsr_run_tests~2.html @@ -158,7 +158,7 @@

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    @@ -173,7 +173,7 @@

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    @@ -368,7 +368,7 @@

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    @@ -383,7 +383,7 @@

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    diff --git a/develop/proc/dbcsr_scalar_are_equal.html b/develop/proc/dbcsr_scalar_are_equal.html index 15456e4695f..e1612887c50 100644 --- a/develop/proc/dbcsr_scalar_are_equal.html +++ b/develop/proc/dbcsr_scalar_are_equal.html @@ -159,7 +159,7 @@

    Arguments

    @@ -194,7 +194,7 @@

    Arguments

    Return Value - + logical

    diff --git a/develop/proc/dbcsr_scalar_c.html b/develop/proc/dbcsr_scalar_c.html index 7191f6b293a..34f761c7205 100644 --- a/develop/proc/dbcsr_scalar_c.html +++ b/develop/proc/dbcsr_scalar_c.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scalar_d.html b/develop/proc/dbcsr_scalar_d.html index ef0e6a4975d..d81bb2ecf8f 100644 --- a/develop/proc/dbcsr_scalar_d.html +++ b/develop/proc/dbcsr_scalar_d.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scalar_fill_all.html b/develop/proc/dbcsr_scalar_fill_all.html index d1339cbaad7..ac96d757644 100644 --- a/develop/proc/dbcsr_scalar_fill_all.html +++ b/develop/proc/dbcsr_scalar_fill_all.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scalar_get_type.html b/develop/proc/dbcsr_scalar_get_type.html index efbde970275..204bdb206a3 100644 --- a/develop/proc/dbcsr_scalar_get_type.html +++ b/develop/proc/dbcsr_scalar_get_type.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_scalar_get_value_c.html b/develop/proc/dbcsr_scalar_get_value_c.html index 2ed2c72f3fc..f330900a2eb 100644 --- a/develop/proc/dbcsr_scalar_get_value_c.html +++ b/develop/proc/dbcsr_scalar_get_value_c.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scalar_get_value_d.html b/develop/proc/dbcsr_scalar_get_value_d.html index 7baadd4739a..992b3db32dc 100644 --- a/develop/proc/dbcsr_scalar_get_value_d.html +++ b/develop/proc/dbcsr_scalar_get_value_d.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scalar_get_value_s.html b/develop/proc/dbcsr_scalar_get_value_s.html index d71dfd7d034..bf3c2802411 100644 --- a/develop/proc/dbcsr_scalar_get_value_s.html +++ b/develop/proc/dbcsr_scalar_get_value_s.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scalar_get_value_z.html b/develop/proc/dbcsr_scalar_get_value_z.html index 5d48081d869..6f98ee7292a 100644 --- a/develop/proc/dbcsr_scalar_get_value_z.html +++ b/develop/proc/dbcsr_scalar_get_value_z.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scalar_multiply.html b/develop/proc/dbcsr_scalar_multiply.html index ff17c94fba9..e4e0b739e09 100644 --- a/develop/proc/dbcsr_scalar_multiply.html +++ b/develop/proc/dbcsr_scalar_multiply.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scalar_one.html b/develop/proc/dbcsr_scalar_one.html index 1dfae3d42df..68c72664cfe 100644 --- a/develop/proc/dbcsr_scalar_one.html +++ b/develop/proc/dbcsr_scalar_one.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + type(dbcsr_scalar_type)

    diff --git a/develop/proc/dbcsr_scalar_s.html b/develop/proc/dbcsr_scalar_s.html index 6f5b1cb5204..a68b9d81edf 100644 --- a/develop/proc/dbcsr_scalar_s.html +++ b/develop/proc/dbcsr_scalar_s.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scalar_set_type.html b/develop/proc/dbcsr_scalar_set_type.html index 1c2e89bb305..d8a8d169e8b 100644 --- a/develop/proc/dbcsr_scalar_set_type.html +++ b/develop/proc/dbcsr_scalar_set_type.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scalar_z.html b/develop/proc/dbcsr_scalar_z.html index c086228ff22..ecbd6e1cf1c 100644 --- a/develop/proc/dbcsr_scalar_z.html +++ b/develop/proc/dbcsr_scalar_z.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scalar_zero.html b/develop/proc/dbcsr_scalar_zero.html index f7fa1461f66..6bf894218db 100644 --- a/develop/proc/dbcsr_scalar_zero.html +++ b/develop/proc/dbcsr_scalar_zero.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scale_anytype.html b/develop/proc/dbcsr_scale_anytype.html index 7963bb74890..c9945177226 100644 --- a/develop/proc/dbcsr_scale_anytype.html +++ b/develop/proc/dbcsr_scale_anytype.html @@ -162,7 +162,7 @@

    Arguments

    @@ -177,7 +177,7 @@

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    @@ -192,7 +192,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scale_by_vector_anytype.html b/develop/proc/dbcsr_scale_by_vector_anytype.html index ac515d2b121..3ef25d12bda 100644 --- a/develop/proc/dbcsr_scale_by_vector_anytype.html +++ b/develop/proc/dbcsr_scale_by_vector_anytype.html @@ -159,7 +159,7 @@

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    @@ -174,7 +174,7 @@

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    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_scale_by_vector_c.html b/develop/proc/dbcsr_scale_by_vector_c.html index 65e770fd69d..45858ba19c8 100644 --- a/develop/proc/dbcsr_scale_by_vector_c.html +++ b/develop/proc/dbcsr_scale_by_vector_c.html @@ -74,20 +74,20 @@

    dbcsr_scale_by_vector_c
  • 14 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side)

    -

    Interface for matrix scaling by a vector

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -189,7 +188,7 @@

    Arguments

    @@ -220,20 +219,11 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_by_vector_c (matrix_a, alpha, side)
-      !! Interface for matrix scaling by a vector
-         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix_a
-         COMPLEX(kind=real_4), DIMENSION(:), INTENT(IN), TARGET, CONTIGUOUS :: alpha
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
+         COMPLEX(kind=real_4), DIMENSION(:), INTENT(IN), TARGET :: alpha
          CHARACTER(LEN=*), INTENT(IN)              :: side
-         COMPLEX(kind=real_4), DIMENSION(:), POINTER, CONTIGUOUS :: tmp_p
-         TYPE(dbcsr_data_obj)                      :: enc_alpha_vec
 
-         CALL dbcsr_data_init(enc_alpha_vec)
-         CALL dbcsr_data_new(enc_alpha_vec, dbcsr_type_complex_4)
-         tmp_p => alpha
-         CALL dbcsr_data_set_pointer(enc_alpha_vec, tmp_p)
-         CALL dbcsr_scale_by_vector_anytype(matrix_a, enc_alpha_vec, side)
-         CALL dbcsr_data_clear_pointer(enc_alpha_vec)
-         CALL dbcsr_data_release(enc_alpha_vec)
+         CALL dbcsr_scale_by_vector_prv(matrix_a%prv, alpha, side)
       END SUBROUTINE dbcsr_scale_by_vector_c
    diff --git a/develop/proc/dbcsr_scale_by_vector_c~2.html b/develop/proc/dbcsr_scale_by_vector_c~2.html index 460929d4cce..db2e8708bb2 100644 --- a/develop/proc/dbcsr_scale_by_vector_c~2.html +++ b/develop/proc/dbcsr_scale_by_vector_c~2.html @@ -74,20 +74,20 @@

    dbcsr_scale_by_vector_c
  • 6 statements + title=" 0.0% of total for procedures.">14 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side)

    +

    Interface for matrix scaling by a vector

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -219,11 +220,20 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_by_vector_c (matrix_a, alpha, side)
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
-         COMPLEX(kind=real_4), DIMENSION(:), INTENT(IN), TARGET :: alpha
+      !! Interface for matrix scaling by a vector
+         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix_a
+         COMPLEX(kind=real_4), DIMENSION(:), INTENT(IN), TARGET, CONTIGUOUS :: alpha
          CHARACTER(LEN=*), INTENT(IN)              :: side
+         COMPLEX(kind=real_4), DIMENSION(:), POINTER, CONTIGUOUS :: tmp_p
+         TYPE(dbcsr_data_obj)                      :: enc_alpha_vec
 
-         CALL dbcsr_scale_by_vector_prv(matrix_a%prv, alpha, side)
+         CALL dbcsr_data_init(enc_alpha_vec)
+         CALL dbcsr_data_new(enc_alpha_vec, dbcsr_type_complex_4)
+         tmp_p => alpha
+         CALL dbcsr_data_set_pointer(enc_alpha_vec, tmp_p)
+         CALL dbcsr_scale_by_vector_anytype(matrix_a, enc_alpha_vec, side)
+         CALL dbcsr_data_clear_pointer(enc_alpha_vec)
+         CALL dbcsr_data_release(enc_alpha_vec)
       END SUBROUTINE dbcsr_scale_by_vector_c
    diff --git a/develop/proc/dbcsr_scale_by_vector_d.html b/develop/proc/dbcsr_scale_by_vector_d.html index 44d531fe684..5351d265695 100644 --- a/develop/proc/dbcsr_scale_by_vector_d.html +++ b/develop/proc/dbcsr_scale_by_vector_d.html @@ -74,20 +74,20 @@

    dbcsr_scale_by_vector_d
  • 14 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side)

    -

    Interface for matrix scaling by a vector

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -189,7 +188,7 @@

    Arguments

    @@ -220,20 +219,11 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_by_vector_d (matrix_a, alpha, side)
-      !! Interface for matrix scaling by a vector
-         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix_a
-         REAL(kind=real_8), DIMENSION(:), INTENT(IN), TARGET, CONTIGUOUS :: alpha
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
+         REAL(kind=real_8), DIMENSION(:), INTENT(IN), TARGET :: alpha
          CHARACTER(LEN=*), INTENT(IN)              :: side
-         REAL(kind=real_8), DIMENSION(:), POINTER, CONTIGUOUS :: tmp_p
-         TYPE(dbcsr_data_obj)                      :: enc_alpha_vec
 
-         CALL dbcsr_data_init(enc_alpha_vec)
-         CALL dbcsr_data_new(enc_alpha_vec, dbcsr_type_real_8)
-         tmp_p => alpha
-         CALL dbcsr_data_set_pointer(enc_alpha_vec, tmp_p)
-         CALL dbcsr_scale_by_vector_anytype(matrix_a, enc_alpha_vec, side)
-         CALL dbcsr_data_clear_pointer(enc_alpha_vec)
-         CALL dbcsr_data_release(enc_alpha_vec)
+         CALL dbcsr_scale_by_vector_prv(matrix_a%prv, alpha, side)
       END SUBROUTINE dbcsr_scale_by_vector_d
    diff --git a/develop/proc/dbcsr_scale_by_vector_d~2.html b/develop/proc/dbcsr_scale_by_vector_d~2.html index f841c2d93cf..c6deebaddac 100644 --- a/develop/proc/dbcsr_scale_by_vector_d~2.html +++ b/develop/proc/dbcsr_scale_by_vector_d~2.html @@ -74,20 +74,20 @@

    dbcsr_scale_by_vector_d
  • 6 statements + title=" 0.0% of total for procedures.">14 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side)

    +

    Interface for matrix scaling by a vector

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -219,11 +220,20 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_by_vector_d (matrix_a, alpha, side)
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
-         REAL(kind=real_8), DIMENSION(:), INTENT(IN), TARGET :: alpha
+      !! Interface for matrix scaling by a vector
+         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix_a
+         REAL(kind=real_8), DIMENSION(:), INTENT(IN), TARGET, CONTIGUOUS :: alpha
          CHARACTER(LEN=*), INTENT(IN)              :: side
+         REAL(kind=real_8), DIMENSION(:), POINTER, CONTIGUOUS :: tmp_p
+         TYPE(dbcsr_data_obj)                      :: enc_alpha_vec
 
-         CALL dbcsr_scale_by_vector_prv(matrix_a%prv, alpha, side)
+         CALL dbcsr_data_init(enc_alpha_vec)
+         CALL dbcsr_data_new(enc_alpha_vec, dbcsr_type_real_8)
+         tmp_p => alpha
+         CALL dbcsr_data_set_pointer(enc_alpha_vec, tmp_p)
+         CALL dbcsr_scale_by_vector_anytype(matrix_a, enc_alpha_vec, side)
+         CALL dbcsr_data_clear_pointer(enc_alpha_vec)
+         CALL dbcsr_data_release(enc_alpha_vec)
       END SUBROUTINE dbcsr_scale_by_vector_d
    diff --git a/develop/proc/dbcsr_scale_by_vector_s.html b/develop/proc/dbcsr_scale_by_vector_s.html index d5dcc599e73..7fccb28f88b 100644 --- a/develop/proc/dbcsr_scale_by_vector_s.html +++ b/develop/proc/dbcsr_scale_by_vector_s.html @@ -74,20 +74,20 @@

    dbcsr_scale_by_vector_s
  • 14 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side)

    -

    Interface for matrix scaling by a vector

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -189,7 +188,7 @@

    Arguments

    @@ -220,20 +219,11 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_by_vector_s (matrix_a, alpha, side)
-      !! Interface for matrix scaling by a vector
-         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix_a
-         REAL(kind=real_4), DIMENSION(:), INTENT(IN), TARGET, CONTIGUOUS :: alpha
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
+         REAL(kind=real_4), DIMENSION(:), INTENT(IN), TARGET :: alpha
          CHARACTER(LEN=*), INTENT(IN)              :: side
-         REAL(kind=real_4), DIMENSION(:), POINTER, CONTIGUOUS :: tmp_p
-         TYPE(dbcsr_data_obj)                      :: enc_alpha_vec
 
-         CALL dbcsr_data_init(enc_alpha_vec)
-         CALL dbcsr_data_new(enc_alpha_vec, dbcsr_type_real_4)
-         tmp_p => alpha
-         CALL dbcsr_data_set_pointer(enc_alpha_vec, tmp_p)
-         CALL dbcsr_scale_by_vector_anytype(matrix_a, enc_alpha_vec, side)
-         CALL dbcsr_data_clear_pointer(enc_alpha_vec)
-         CALL dbcsr_data_release(enc_alpha_vec)
+         CALL dbcsr_scale_by_vector_prv(matrix_a%prv, alpha, side)
       END SUBROUTINE dbcsr_scale_by_vector_s
    diff --git a/develop/proc/dbcsr_scale_by_vector_s~2.html b/develop/proc/dbcsr_scale_by_vector_s~2.html index fe07040f5c6..d78c450d1e7 100644 --- a/develop/proc/dbcsr_scale_by_vector_s~2.html +++ b/develop/proc/dbcsr_scale_by_vector_s~2.html @@ -74,20 +74,20 @@

    dbcsr_scale_by_vector_s
  • 6 statements + title=" 0.0% of total for procedures.">14 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side)

    +

    Interface for matrix scaling by a vector

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -219,11 +220,20 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_by_vector_s (matrix_a, alpha, side)
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
-         REAL(kind=real_4), DIMENSION(:), INTENT(IN), TARGET :: alpha
+      !! Interface for matrix scaling by a vector
+         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix_a
+         REAL(kind=real_4), DIMENSION(:), INTENT(IN), TARGET, CONTIGUOUS :: alpha
          CHARACTER(LEN=*), INTENT(IN)              :: side
+         REAL(kind=real_4), DIMENSION(:), POINTER, CONTIGUOUS :: tmp_p
+         TYPE(dbcsr_data_obj)                      :: enc_alpha_vec
 
-         CALL dbcsr_scale_by_vector_prv(matrix_a%prv, alpha, side)
+         CALL dbcsr_data_init(enc_alpha_vec)
+         CALL dbcsr_data_new(enc_alpha_vec, dbcsr_type_real_4)
+         tmp_p => alpha
+         CALL dbcsr_data_set_pointer(enc_alpha_vec, tmp_p)
+         CALL dbcsr_scale_by_vector_anytype(matrix_a, enc_alpha_vec, side)
+         CALL dbcsr_data_clear_pointer(enc_alpha_vec)
+         CALL dbcsr_data_release(enc_alpha_vec)
       END SUBROUTINE dbcsr_scale_by_vector_s
    diff --git a/develop/proc/dbcsr_scale_by_vector_z.html b/develop/proc/dbcsr_scale_by_vector_z.html index a9278b6cf44..cd6576aa431 100644 --- a/develop/proc/dbcsr_scale_by_vector_z.html +++ b/develop/proc/dbcsr_scale_by_vector_z.html @@ -74,20 +74,20 @@

    dbcsr_scale_by_vector_z
  • 14 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side)

    -

    Interface for matrix scaling by a vector

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -189,7 +188,7 @@

    Arguments

    @@ -220,20 +219,11 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_by_vector_z (matrix_a, alpha, side)
-      !! Interface for matrix scaling by a vector
-         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix_a
-         COMPLEX(kind=real_8), DIMENSION(:), INTENT(IN), TARGET, CONTIGUOUS :: alpha
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
+         COMPLEX(kind=real_8), DIMENSION(:), INTENT(IN), TARGET :: alpha
          CHARACTER(LEN=*), INTENT(IN)              :: side
-         COMPLEX(kind=real_8), DIMENSION(:), POINTER, CONTIGUOUS :: tmp_p
-         TYPE(dbcsr_data_obj)                      :: enc_alpha_vec
 
-         CALL dbcsr_data_init(enc_alpha_vec)
-         CALL dbcsr_data_new(enc_alpha_vec, dbcsr_type_complex_8)
-         tmp_p => alpha
-         CALL dbcsr_data_set_pointer(enc_alpha_vec, tmp_p)
-         CALL dbcsr_scale_by_vector_anytype(matrix_a, enc_alpha_vec, side)
-         CALL dbcsr_data_clear_pointer(enc_alpha_vec)
-         CALL dbcsr_data_release(enc_alpha_vec)
+         CALL dbcsr_scale_by_vector_prv(matrix_a%prv, alpha, side)
       END SUBROUTINE dbcsr_scale_by_vector_z
    diff --git a/develop/proc/dbcsr_scale_by_vector_z~2.html b/develop/proc/dbcsr_scale_by_vector_z~2.html index a25948168a1..fccd4d13cf2 100644 --- a/develop/proc/dbcsr_scale_by_vector_z~2.html +++ b/develop/proc/dbcsr_scale_by_vector_z~2.html @@ -74,20 +74,20 @@

    dbcsr_scale_by_vector_z
  • 6 statements + title=" 0.0% of total for procedures.">14 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side)

    +

    Interface for matrix scaling by a vector

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -219,11 +220,20 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_by_vector_z (matrix_a, alpha, side)
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
-         COMPLEX(kind=real_8), DIMENSION(:), INTENT(IN), TARGET :: alpha
+      !! Interface for matrix scaling by a vector
+         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix_a
+         COMPLEX(kind=real_8), DIMENSION(:), INTENT(IN), TARGET, CONTIGUOUS :: alpha
          CHARACTER(LEN=*), INTENT(IN)              :: side
+         COMPLEX(kind=real_8), DIMENSION(:), POINTER, CONTIGUOUS :: tmp_p
+         TYPE(dbcsr_data_obj)                      :: enc_alpha_vec
 
-         CALL dbcsr_scale_by_vector_prv(matrix_a%prv, alpha, side)
+         CALL dbcsr_data_init(enc_alpha_vec)
+         CALL dbcsr_data_new(enc_alpha_vec, dbcsr_type_complex_8)
+         tmp_p => alpha
+         CALL dbcsr_data_set_pointer(enc_alpha_vec, tmp_p)
+         CALL dbcsr_scale_by_vector_anytype(matrix_a, enc_alpha_vec, side)
+         CALL dbcsr_data_clear_pointer(enc_alpha_vec)
+         CALL dbcsr_data_release(enc_alpha_vec)
       END SUBROUTINE dbcsr_scale_by_vector_z
    diff --git a/develop/proc/dbcsr_scale_c.html b/develop/proc/dbcsr_scale_c.html index ca371ddf6aa..2263b3fc8a3 100644 --- a/develop/proc/dbcsr_scale_c.html +++ b/develop/proc/dbcsr_scale_c.html @@ -74,20 +74,20 @@

    dbcsr_scale_c
  • 18 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column)

    -

    Interface for matrix scaling by a scalar

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -220,28 +219,11 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_c (matrix_a, alpha_scalar, last_column)
-      !! Interface for matrix scaling by a scalar
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
          COMPLEX(kind=real_4), INTENT(IN)                      :: alpha_scalar
          INTEGER, INTENT(IN), OPTIONAL            :: last_column
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_scale_c'
-
-         INTEGER                                  :: error_handler
-         TYPE(dbcsr_scalar_type)                  :: sc
-
-         sc = dbcsr_scalar(alpha_scalar)
-         CALL dbcsr_scalar_fill_all(sc)
-         sc%data_type = dbcsr_get_data_type(matrix_a)
-         CALL timeset(routineN, error_handler)
-         IF (PRESENT(last_column)) THEN
-            CALL dbcsr_scale_anytype(matrix_a, &
-                                     alpha_scalar=sc, &
-                                     limits=(/0, 0, 0, last_column/))
-         ELSE
-            CALL dbcsr_scale_anytype(matrix_a, alpha_scalar=sc)
-         END IF
-         CALL timestop(error_handler)
+         CALL dbcsr_scale_prv(matrix_a%prv, alpha_scalar, last_column)
       END SUBROUTINE dbcsr_scale_c
    diff --git a/develop/proc/dbcsr_scale_c~2.html b/develop/proc/dbcsr_scale_c~2.html index d14031017d5..e4cbc39a836 100644 --- a/develop/proc/dbcsr_scale_c~2.html +++ b/develop/proc/dbcsr_scale_c~2.html @@ -74,20 +74,20 @@

    dbcsr_scale_c
  • 6 statements + title=" 0.0% of total for procedures.">18 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column)

    +

    Interface for matrix scaling by a scalar

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -188,7 +189,7 @@

    Arguments

    @@ -219,11 +220,28 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_c (matrix_a, alpha_scalar, last_column)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
+      !! Interface for matrix scaling by a scalar
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
          COMPLEX(kind=real_4), INTENT(IN)                      :: alpha_scalar
          INTEGER, INTENT(IN), OPTIONAL            :: last_column
 
-         CALL dbcsr_scale_prv(matrix_a%prv, alpha_scalar, last_column)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_scale_c'
+
+         INTEGER                                  :: error_handler
+         TYPE(dbcsr_scalar_type)                  :: sc
+
+         sc = dbcsr_scalar(alpha_scalar)
+         CALL dbcsr_scalar_fill_all(sc)
+         sc%data_type = dbcsr_get_data_type(matrix_a)
+         CALL timeset(routineN, error_handler)
+         IF (PRESENT(last_column)) THEN
+            CALL dbcsr_scale_anytype(matrix_a, &
+                                     alpha_scalar=sc, &
+                                     limits=(/0, 0, 0, last_column/))
+         ELSE
+            CALL dbcsr_scale_anytype(matrix_a, alpha_scalar=sc)
+         END IF
+         CALL timestop(error_handler)
       END SUBROUTINE dbcsr_scale_c
    diff --git a/develop/proc/dbcsr_scale_d.html b/develop/proc/dbcsr_scale_d.html index 0b08ec35cfd..2ae5958a3be 100644 --- a/develop/proc/dbcsr_scale_d.html +++ b/develop/proc/dbcsr_scale_d.html @@ -74,20 +74,20 @@

    dbcsr_scale_d
  • 18 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)

    -

    Interface for matrix scaling by a scalar

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -189,7 +188,7 @@

    Arguments

    @@ -220,28 +219,11 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_d (matrix_a, alpha_scalar, last_column)
-      !! Interface for matrix scaling by a scalar
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
          REAL(kind=real_8), INTENT(IN)                      :: alpha_scalar
          INTEGER, INTENT(IN), OPTIONAL            :: last_column
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_scale_d'
-
-         INTEGER                                  :: error_handler
-         TYPE(dbcsr_scalar_type)                  :: sc
-
-         sc = dbcsr_scalar(alpha_scalar)
-         CALL dbcsr_scalar_fill_all(sc)
-         sc%data_type = dbcsr_get_data_type(matrix_a)
-         CALL timeset(routineN, error_handler)
-         IF (PRESENT(last_column)) THEN
-            CALL dbcsr_scale_anytype(matrix_a, &
-                                     alpha_scalar=sc, &
-                                     limits=(/0, 0, 0, last_column/))
-         ELSE
-            CALL dbcsr_scale_anytype(matrix_a, alpha_scalar=sc)
-         END IF
-         CALL timestop(error_handler)
+         CALL dbcsr_scale_prv(matrix_a%prv, alpha_scalar, last_column)
       END SUBROUTINE dbcsr_scale_d
    diff --git a/develop/proc/dbcsr_scale_d~2.html b/develop/proc/dbcsr_scale_d~2.html index 5fdbc85e7c7..127d129b883 100644 --- a/develop/proc/dbcsr_scale_d~2.html +++ b/develop/proc/dbcsr_scale_d~2.html @@ -74,20 +74,20 @@

    dbcsr_scale_d
  • 6 statements + title=" 0.0% of total for procedures.">18 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)

    +

    Interface for matrix scaling by a scalar

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -188,7 +189,7 @@

    Arguments

    @@ -219,11 +220,28 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_d (matrix_a, alpha_scalar, last_column)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
+      !! Interface for matrix scaling by a scalar
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
          REAL(kind=real_8), INTENT(IN)                      :: alpha_scalar
          INTEGER, INTENT(IN), OPTIONAL            :: last_column
 
-         CALL dbcsr_scale_prv(matrix_a%prv, alpha_scalar, last_column)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_scale_d'
+
+         INTEGER                                  :: error_handler
+         TYPE(dbcsr_scalar_type)                  :: sc
+
+         sc = dbcsr_scalar(alpha_scalar)
+         CALL dbcsr_scalar_fill_all(sc)
+         sc%data_type = dbcsr_get_data_type(matrix_a)
+         CALL timeset(routineN, error_handler)
+         IF (PRESENT(last_column)) THEN
+            CALL dbcsr_scale_anytype(matrix_a, &
+                                     alpha_scalar=sc, &
+                                     limits=(/0, 0, 0, last_column/))
+         ELSE
+            CALL dbcsr_scale_anytype(matrix_a, alpha_scalar=sc)
+         END IF
+         CALL timestop(error_handler)
       END SUBROUTINE dbcsr_scale_d
    diff --git a/develop/proc/dbcsr_scale_s.html b/develop/proc/dbcsr_scale_s.html index 89549b0714a..8b765678d9a 100644 --- a/develop/proc/dbcsr_scale_s.html +++ b/develop/proc/dbcsr_scale_s.html @@ -74,20 +74,20 @@

    dbcsr_scale_s
  • 18 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column)

    -

    Interface for matrix scaling by a scalar

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -189,7 +188,7 @@

    Arguments

    @@ -220,28 +219,11 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_s (matrix_a, alpha_scalar, last_column)
-      !! Interface for matrix scaling by a scalar
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
          REAL(kind=real_4), INTENT(IN)                      :: alpha_scalar
          INTEGER, INTENT(IN), OPTIONAL            :: last_column
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_scale_s'
-
-         INTEGER                                  :: error_handler
-         TYPE(dbcsr_scalar_type)                  :: sc
-
-         sc = dbcsr_scalar(alpha_scalar)
-         CALL dbcsr_scalar_fill_all(sc)
-         sc%data_type = dbcsr_get_data_type(matrix_a)
-         CALL timeset(routineN, error_handler)
-         IF (PRESENT(last_column)) THEN
-            CALL dbcsr_scale_anytype(matrix_a, &
-                                     alpha_scalar=sc, &
-                                     limits=(/0, 0, 0, last_column/))
-         ELSE
-            CALL dbcsr_scale_anytype(matrix_a, alpha_scalar=sc)
-         END IF
-         CALL timestop(error_handler)
+         CALL dbcsr_scale_prv(matrix_a%prv, alpha_scalar, last_column)
       END SUBROUTINE dbcsr_scale_s
    diff --git a/develop/proc/dbcsr_scale_s~2.html b/develop/proc/dbcsr_scale_s~2.html index 7d4eed07612..af5afd4a67e 100644 --- a/develop/proc/dbcsr_scale_s~2.html +++ b/develop/proc/dbcsr_scale_s~2.html @@ -74,20 +74,20 @@

    dbcsr_scale_s
  • 6 statements + title=" 0.0% of total for procedures.">18 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column)

    +

    Interface for matrix scaling by a scalar

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -188,7 +189,7 @@

    Arguments

    @@ -219,11 +220,28 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_s (matrix_a, alpha_scalar, last_column)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
+      !! Interface for matrix scaling by a scalar
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
          REAL(kind=real_4), INTENT(IN)                      :: alpha_scalar
          INTEGER, INTENT(IN), OPTIONAL            :: last_column
 
-         CALL dbcsr_scale_prv(matrix_a%prv, alpha_scalar, last_column)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_scale_s'
+
+         INTEGER                                  :: error_handler
+         TYPE(dbcsr_scalar_type)                  :: sc
+
+         sc = dbcsr_scalar(alpha_scalar)
+         CALL dbcsr_scalar_fill_all(sc)
+         sc%data_type = dbcsr_get_data_type(matrix_a)
+         CALL timeset(routineN, error_handler)
+         IF (PRESENT(last_column)) THEN
+            CALL dbcsr_scale_anytype(matrix_a, &
+                                     alpha_scalar=sc, &
+                                     limits=(/0, 0, 0, last_column/))
+         ELSE
+            CALL dbcsr_scale_anytype(matrix_a, alpha_scalar=sc)
+         END IF
+         CALL timestop(error_handler)
       END SUBROUTINE dbcsr_scale_s
    diff --git a/develop/proc/dbcsr_scale_z.html b/develop/proc/dbcsr_scale_z.html index dbf97ace034..0e45028094c 100644 --- a/develop/proc/dbcsr_scale_z.html +++ b/develop/proc/dbcsr_scale_z.html @@ -74,20 +74,20 @@

    dbcsr_scale_z
  • 18 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column)

    -

    Interface for matrix scaling by a scalar

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -189,7 +188,7 @@

    Arguments

    @@ -220,28 +219,11 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_z (matrix_a, alpha_scalar, last_column)
-      !! Interface for matrix scaling by a scalar
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
+         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
          COMPLEX(kind=real_8), INTENT(IN)                      :: alpha_scalar
          INTEGER, INTENT(IN), OPTIONAL            :: last_column
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_scale_z'
-
-         INTEGER                                  :: error_handler
-         TYPE(dbcsr_scalar_type)                  :: sc
-
-         sc = dbcsr_scalar(alpha_scalar)
-         CALL dbcsr_scalar_fill_all(sc)
-         sc%data_type = dbcsr_get_data_type(matrix_a)
-         CALL timeset(routineN, error_handler)
-         IF (PRESENT(last_column)) THEN
-            CALL dbcsr_scale_anytype(matrix_a, &
-                                     alpha_scalar=sc, &
-                                     limits=(/0, 0, 0, last_column/))
-         ELSE
-            CALL dbcsr_scale_anytype(matrix_a, alpha_scalar=sc)
-         END IF
-         CALL timestop(error_handler)
+         CALL dbcsr_scale_prv(matrix_a%prv, alpha_scalar, last_column)
       END SUBROUTINE dbcsr_scale_z
    diff --git a/develop/proc/dbcsr_scale_z~2.html b/develop/proc/dbcsr_scale_z~2.html index 2cb696551dc..baf199f7850 100644 --- a/develop/proc/dbcsr_scale_z~2.html +++ b/develop/proc/dbcsr_scale_z~2.html @@ -74,20 +74,20 @@

    dbcsr_scale_z
  • 6 statements + title=" 0.0% of total for procedures.">18 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column)

    +

    Interface for matrix scaling by a scalar

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -188,7 +189,7 @@

    Arguments

    @@ -219,11 +220,28 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_scale_z (matrix_a, alpha_scalar, last_column)
-         TYPE(dbcsr_type), INTENT(INOUT)          :: matrix_a
+      !! Interface for matrix scaling by a scalar
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix_a
          COMPLEX(kind=real_8), INTENT(IN)                      :: alpha_scalar
          INTEGER, INTENT(IN), OPTIONAL            :: last_column
 
-         CALL dbcsr_scale_prv(matrix_a%prv, alpha_scalar, last_column)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_scale_z'
+
+         INTEGER                                  :: error_handler
+         TYPE(dbcsr_scalar_type)                  :: sc
+
+         sc = dbcsr_scalar(alpha_scalar)
+         CALL dbcsr_scalar_fill_all(sc)
+         sc%data_type = dbcsr_get_data_type(matrix_a)
+         CALL timeset(routineN, error_handler)
+         IF (PRESENT(last_column)) THEN
+            CALL dbcsr_scale_anytype(matrix_a, &
+                                     alpha_scalar=sc, &
+                                     limits=(/0, 0, 0, last_column/))
+         ELSE
+            CALL dbcsr_scale_anytype(matrix_a, alpha_scalar=sc)
+         END IF
+         CALL timestop(error_handler)
       END SUBROUTINE dbcsr_scale_z
    diff --git a/develop/proc/dbcsr_sendrecv_any.html b/develop/proc/dbcsr_sendrecv_any.html index 59d668c0bd5..60d9de887c2 100644 --- a/develop/proc/dbcsr_sendrecv_any.html +++ b/develop/proc/dbcsr_sendrecv_any.html @@ -163,7 +163,7 @@

    Arguments

    @@ -178,7 +178,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

    @@ -208,7 +208,7 @@

    Arguments

    @@ -223,7 +223,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_set_block_pointer_2d_c.html b/develop/proc/dbcsr_set_block_pointer_2d_c.html index ef8a0143afa..7c021af2767 100644 --- a/develop/proc/dbcsr_set_block_pointer_2d_c.html +++ b/develop/proc/dbcsr_set_block_pointer_2d_c.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_set_block_pointer_2d_d.html b/develop/proc/dbcsr_set_block_pointer_2d_d.html index a6edb7ca4fd..9afd14468fc 100644 --- a/develop/proc/dbcsr_set_block_pointer_2d_d.html +++ b/develop/proc/dbcsr_set_block_pointer_2d_d.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_set_block_pointer_2d_s.html b/develop/proc/dbcsr_set_block_pointer_2d_s.html index 6ad14e994e6..3cb5991f0f9 100644 --- a/develop/proc/dbcsr_set_block_pointer_2d_s.html +++ b/develop/proc/dbcsr_set_block_pointer_2d_s.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_set_block_pointer_2d_z.html b/develop/proc/dbcsr_set_block_pointer_2d_z.html index ddf16847ff3..dab72e04987 100644 --- a/develop/proc/dbcsr_set_block_pointer_2d_z.html +++ b/develop/proc/dbcsr_set_block_pointer_2d_z.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_set_block_pointer_any.html b/develop/proc/dbcsr_set_block_pointer_any.html index 264efb19dbb..4bc67d551f7 100644 --- a/develop/proc/dbcsr_set_block_pointer_any.html +++ b/develop/proc/dbcsr_set_block_pointer_any.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_set_c.html b/develop/proc/dbcsr_set_c.html index 35c0a169a9a..40ded21c51f 100644 --- a/develop/proc/dbcsr_set_c.html +++ b/develop/proc/dbcsr_set_c.html @@ -74,20 +74,20 @@

    dbcsr_set_c
  • 22 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_set_c(matrix, alpha)

    -

    Interface for dbcsr_set

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -608,11 +608,7 @@

    Source Code

    CALL dbcsr_cfg%accdrv_binning_binsize%set(accdrv_binning_binsize) CALL dbcsr_cfg%use_mempools_cpu%set(use_mempools_cpu) CALL dbcsr_cfg%tas_split_factor%set(tas_split_factor) -#if defined(__DBCSR_ACC_G2G) CALL dbcsr_cfg%use_acc_g2g%set(use_acc_g2g) -#else - MARK_USED(use_acc_g2g) -#endif IF (0 == nthreads) THEN nthreads = 1 diff --git a/develop/proc/dbcsr_set_c~2.html b/develop/proc/dbcsr_set_c~2.html index 660a1450374..4b838ae1189 100644 --- a/develop/proc/dbcsr_set_c~2.html +++ b/develop/proc/dbcsr_set_c~2.html @@ -74,20 +74,20 @@

    dbcsr_set_c
  • 5 statements + title=" 0.0% of total for procedures.">22 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_set_c(matrix, alpha)

    +

    Interface for dbcsr_set

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -204,10 +205,35 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_c (matrix, alpha)
-         TYPE(dbcsr_type), INTENT(INOUT)       :: matrix
+      !! Interface for dbcsr_set
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
          COMPLEX(kind=real_4), INTENT(IN)                      :: alpha
 
-         CALL dbcsr_set_prv(matrix%prv, alpha)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set'
+
+         INTEGER                                            :: col, handle, row
+         TYPE(dbcsr_iterator)                               :: iter
+         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER                   :: block
+         LOGICAL                                            :: tr
+
+         CALL timeset(routineN, handle)
+
+         IF (alpha == CMPLX(0.0, 0.0, real_4)) THEN
+            CALL dbcsr_zero(matrix)
+         ELSE
+            IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_4) &
+               DBCSR_ABORT("Incompatible data types")
+
+            !TODO: could be speedup by direct assignment to data_area, similar to dbcsr_zero()
+            CALL dbcsr_iterator_start(iter, matrix)
+            DO WHILE (dbcsr_iterator_blocks_left(iter))
+               CALL dbcsr_iterator_next_block(iter, row, col, block, tr)
+               block(:, :) = alpha
+            END DO
+            CALL dbcsr_iterator_stop(iter)
+         END IF
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_set_c
    diff --git a/develop/proc/dbcsr_set_d.html b/develop/proc/dbcsr_set_d.html index 7c66592e85d..5721ba55715 100644 --- a/develop/proc/dbcsr_set_d.html +++ b/develop/proc/dbcsr_set_d.html @@ -74,20 +74,20 @@

    dbcsr_set_d
  • 22 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_set_d(matrix, alpha)

    -

    Interface for dbcsr_set

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -204,10 +205,35 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_d (matrix, alpha)
-         TYPE(dbcsr_type), INTENT(INOUT)       :: matrix
+      !! Interface for dbcsr_set
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
          REAL(kind=real_8), INTENT(IN)                      :: alpha
 
-         CALL dbcsr_set_prv(matrix%prv, alpha)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set'
+
+         INTEGER                                            :: col, handle, row
+         TYPE(dbcsr_iterator)                               :: iter
+         REAL(kind=real_8), DIMENSION(:, :), POINTER                   :: block
+         LOGICAL                                            :: tr
+
+         CALL timeset(routineN, handle)
+
+         IF (alpha == 0.0_real_8) THEN
+            CALL dbcsr_zero(matrix)
+         ELSE
+            IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_8) &
+               DBCSR_ABORT("Incompatible data types")
+
+            !TODO: could be speedup by direct assignment to data_area, similar to dbcsr_zero()
+            CALL dbcsr_iterator_start(iter, matrix)
+            DO WHILE (dbcsr_iterator_blocks_left(iter))
+               CALL dbcsr_iterator_next_block(iter, row, col, block, tr)
+               block(:, :) = alpha
+            END DO
+            CALL dbcsr_iterator_stop(iter)
+         END IF
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_set_d
    diff --git a/develop/proc/dbcsr_set_s.html b/develop/proc/dbcsr_set_s.html index f0696401371..8a8a6dfa30a 100644 --- a/develop/proc/dbcsr_set_s.html +++ b/develop/proc/dbcsr_set_s.html @@ -74,20 +74,20 @@

    dbcsr_set_s
  • 22 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_set_s(matrix, alpha)

    -

    Interface for dbcsr_set

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -204,10 +205,35 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_s (matrix, alpha)
-         TYPE(dbcsr_type), INTENT(INOUT)       :: matrix
+      !! Interface for dbcsr_set
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
          REAL(kind=real_4), INTENT(IN)                      :: alpha
 
-         CALL dbcsr_set_prv(matrix%prv, alpha)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set'
+
+         INTEGER                                            :: col, handle, row
+         TYPE(dbcsr_iterator)                               :: iter
+         REAL(kind=real_4), DIMENSION(:, :), POINTER                   :: block
+         LOGICAL                                            :: tr
+
+         CALL timeset(routineN, handle)
+
+         IF (alpha == 0.0_real_4) THEN
+            CALL dbcsr_zero(matrix)
+         ELSE
+            IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_4) &
+               DBCSR_ABORT("Incompatible data types")
+
+            !TODO: could be speedup by direct assignment to data_area, similar to dbcsr_zero()
+            CALL dbcsr_iterator_start(iter, matrix)
+            DO WHILE (dbcsr_iterator_blocks_left(iter))
+               CALL dbcsr_iterator_next_block(iter, row, col, block, tr)
+               block(:, :) = alpha
+            END DO
+            CALL dbcsr_iterator_stop(iter)
+         END IF
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_set_s
    diff --git a/develop/proc/dbcsr_set_work_size.html b/develop/proc/dbcsr_set_work_size.html index af602796f0a..bb764c1aad3 100644 --- a/develop/proc/dbcsr_set_work_size.html +++ b/develop/proc/dbcsr_set_work_size.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_set_z.html b/develop/proc/dbcsr_set_z.html index 4a14f23abfd..abb07143999 100644 --- a/develop/proc/dbcsr_set_z.html +++ b/develop/proc/dbcsr_set_z.html @@ -74,20 +74,20 @@

    dbcsr_set_z
  • 22 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_set_z(matrix, alpha)

    -

    Interface for dbcsr_set

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -204,10 +205,35 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_z (matrix, alpha)
-         TYPE(dbcsr_type), INTENT(INOUT)       :: matrix
+      !! Interface for dbcsr_set
+         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
          COMPLEX(kind=real_8), INTENT(IN)                      :: alpha
 
-         CALL dbcsr_set_prv(matrix%prv, alpha)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set'
+
+         INTEGER                                            :: col, handle, row
+         TYPE(dbcsr_iterator)                               :: iter
+         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER                   :: block
+         LOGICAL                                            :: tr
+
+         CALL timeset(routineN, handle)
+
+         IF (alpha == CMPLX(0.0, 0.0, real_8)) THEN
+            CALL dbcsr_zero(matrix)
+         ELSE
+            IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_8) &
+               DBCSR_ABORT("Incompatible data types")
+
+            !TODO: could be speedup by direct assignment to data_area, similar to dbcsr_zero()
+            CALL dbcsr_iterator_start(iter, matrix)
+            DO WHILE (dbcsr_iterator_blocks_left(iter))
+               CALL dbcsr_iterator_next_block(iter, row, col, block, tr)
+               block(:, :) = alpha
+            END DO
+            CALL dbcsr_iterator_stop(iter)
+         END IF
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_set_z
    diff --git a/develop/proc/dbcsr_setname.html b/develop/proc/dbcsr_setname.html index 0b7181cd903..93ea3bb6b72 100644 --- a/develop/proc/dbcsr_setname.html +++ b/develop/proc/dbcsr_setname.html @@ -79,15 +79,15 @@

    dbcsr_setname
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments

    @@ -207,7 +207,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(INOUT) :: matrix CHARACTER(len=*), INTENT(IN) :: newname - matrix%name = newname + CALL dbcsr_setname_prv(matrix%prv, newname) END SUBROUTINE dbcsr_setname diff --git a/develop/proc/dbcsr_setname~2.html b/develop/proc/dbcsr_setname~2.html index 9d324356894..2d892ca9e53 100644 --- a/develop/proc/dbcsr_setname~2.html +++ b/develop/proc/dbcsr_setname~2.html @@ -79,15 +79,15 @@

    dbcsr_setname
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    @@ -222,7 +222,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_sort_indices.html b/develop/proc/dbcsr_sort_indices.html index e69ce8d49c2..b0565869811 100644 --- a/develop/proc/dbcsr_sort_indices.html +++ b/develop/proc/dbcsr_sort_indices.html @@ -165,7 +165,7 @@

    Arguments

    @@ -196,7 +196,7 @@

    Arguments

    @@ -212,7 +212,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_special_finalize.html b/develop/proc/dbcsr_special_finalize.html index 6f98575fd6c..416099c5e18 100644 --- a/develop/proc/dbcsr_special_finalize.html +++ b/develop/proc/dbcsr_special_finalize.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_sum_replicated.html b/develop/proc/dbcsr_sum_replicated.html index 15d68cd5c33..83e9d3dddb1 100644 --- a/develop/proc/dbcsr_sum_replicated.html +++ b/develop/proc/dbcsr_sum_replicated.html @@ -74,20 +74,20 @@

    dbcsr_sum_replicated
  • 30 statements + title=" 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public subroutine dbcsr_sum_replicated(matrix)

    -

    Sums blocks in a replicated dbcsr matrix, which has the same structure on all ranks.

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -190,48 +189,9 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_sum_replicated(matrix)
-      !! Sums blocks in a replicated dbcsr matrix, which has the same structure on all ranks.
-
       TYPE(dbcsr_type), INTENT(inout)                    :: matrix
-         !! dbcsr matrix to operate on
-
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_sum_replicated'
-
-      INTEGER                                            :: handle, index_checksum, mynode, &
-                                                            numnodes
-      INTEGER, ALLOCATABLE, DIMENSION(:)                 :: all_checksums
-      TYPE(dbcsr_mp_obj)                                 :: mp
-      TYPE(mp_comm_type)                                 :: comm
-
-!   ---------------------------------------------------------------------------
 
-      CALL timeset(routineN, handle)
-      mp = dbcsr_distribution_mp(dbcsr_distribution(matrix))
-      comm = dbcsr_mp_group(mp)
-      numnodes = dbcsr_mp_numnodes(mp)
-      mynode = dbcsr_mp_mynode(mp)
-      !
-      ALLOCATE (all_checksums(numnodes))
-      CALL dbcsr_index_checksum(matrix, index_checksum)
-      CALL mp_allgather(index_checksum, all_checksums, comm)
-      !
-      IF (.NOT. ALL(all_checksums .EQ. index_checksum)) &
-         DBCSR_ABORT("Replicated matrices do not all have the same index structure.")
-      !
-      SELECT CASE (dbcsr_data_get_type(matrix%data_area))
-      CASE (dbcsr_type_real_4)
-         CALL mp_sum(matrix%data_area%d%r_sp, comm)
-      CASE (dbcsr_type_real_8)
-         CALL mp_sum(matrix%data_area%d%r_dp, comm)
-      CASE (dbcsr_type_complex_4)
-         CALL mp_sum(matrix%data_area%d%c_sp, comm)
-      CASE (dbcsr_type_complex_8)
-         CALL mp_sum(matrix%data_area%d%c_dp, comm)
-      CASE default
-         DBCSR_ABORT("Incorrect data type")
-      END SELECT
-      !
-      CALL timestop(handle)
+      CALL dbcsr_sum_replicated_prv(matrix%prv)
    END SUBROUTINE dbcsr_sum_replicated
    diff --git a/develop/proc/dbcsr_sum_replicated~2.html b/develop/proc/dbcsr_sum_replicated~2.html index 0b21c316f7c..14d7479a779 100644 --- a/develop/proc/dbcsr_sum_replicated~2.html +++ b/develop/proc/dbcsr_sum_replicated~2.html @@ -74,20 +74,20 @@

    dbcsr_sum_replicated
  • 4 statements + title=" 0.0% of total for procedures.">30 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public subroutine dbcsr_sum_replicated(matrix)

    +

    Sums blocks in a replicated dbcsr matrix, which has the same structure on all ranks.

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    Source Code

       SUBROUTINE dbcsr_sum_replicated(matrix)
+      !! Sums blocks in a replicated dbcsr matrix, which has the same structure on all ranks.
+
       TYPE(dbcsr_type), INTENT(inout)                    :: matrix
+         !! dbcsr matrix to operate on
+
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_sum_replicated'
+
+      INTEGER                                            :: handle, index_checksum, mynode, &
+                                                            numnodes
+      INTEGER, ALLOCATABLE, DIMENSION(:)                 :: all_checksums
+      TYPE(dbcsr_mp_obj)                                 :: mp
+      TYPE(mp_comm_type)                                 :: comm
+
+!   ---------------------------------------------------------------------------
 
-      CALL dbcsr_sum_replicated_prv(matrix%prv)
+      CALL timeset(routineN, handle)
+      mp = dbcsr_distribution_mp(dbcsr_distribution(matrix))
+      comm = dbcsr_mp_group(mp)
+      numnodes = dbcsr_mp_numnodes(mp)
+      mynode = dbcsr_mp_mynode(mp)
+      !
+      ALLOCATE (all_checksums(numnodes))
+      CALL dbcsr_index_checksum(matrix, index_checksum)
+      CALL mp_allgather(index_checksum, all_checksums, comm)
+      !
+      IF (.NOT. ALL(all_checksums .EQ. index_checksum)) &
+         DBCSR_ABORT("Replicated matrices do not all have the same index structure.")
+      !
+      SELECT CASE (dbcsr_data_get_type(matrix%data_area))
+      CASE (dbcsr_type_real_4)
+         CALL mp_sum(matrix%data_area%d%r_sp, comm)
+      CASE (dbcsr_type_real_8)
+         CALL mp_sum(matrix%data_area%d%r_dp, comm)
+      CASE (dbcsr_type_complex_4)
+         CALL mp_sum(matrix%data_area%d%c_sp, comm)
+      CASE (dbcsr_type_complex_8)
+         CALL mp_sum(matrix%data_area%d%c_dp, comm)
+      CASE default
+         DBCSR_ABORT("Incorrect data type")
+      END SELECT
+      !
+      CALL timestop(handle)
    END SUBROUTINE dbcsr_sum_replicated
    diff --git a/develop/proc/dbcsr_switch_data_area.html b/develop/proc/dbcsr_switch_data_area.html index 303a65ababd..4f44b7129cd 100644 --- a/develop/proc/dbcsr_switch_data_area.html +++ b/develop/proc/dbcsr_switch_data_area.html @@ -159,7 +159,7 @@

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    diff --git a/develop/proc/dbcsr_t_allocate_and_get_2d_block_r_dp.html b/develop/proc/dbcsr_t_allocate_and_get_2d_block_r_dp.html index 3c411413fa9..a917dcb2ed6 100644 --- a/develop/proc/dbcsr_t_allocate_and_get_2d_block_r_dp.html +++ b/develop/proc/dbcsr_t_allocate_and_get_2d_block_r_dp.html @@ -168,7 +168,7 @@

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    @@ -170,7 +170,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/dbcsr_tas_nblkcols_total.html b/develop/proc/dbcsr_tas_nblkcols_total.html index 383e9dac459..000601c7ad2 100644 --- a/develop/proc/dbcsr_tas_nblkcols_total.html +++ b/develop/proc/dbcsr_tas_nblkcols_total.html @@ -152,7 +152,7 @@

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    @@ -170,7 +170,7 @@

    Arguments

    Return Value - + integer(kind=int_8)

    diff --git a/develop/proc/dbcsr_tas_nblkrows_local.html b/develop/proc/dbcsr_tas_nblkrows_local.html index 33d885320b8..bb1485c40b6 100644 --- a/develop/proc/dbcsr_tas_nblkrows_local.html +++ b/develop/proc/dbcsr_tas_nblkrows_local.html @@ -152,7 +152,7 @@

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    @@ -170,7 +170,7 @@

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    Return Value - + integer

    diff --git a/develop/proc/dbcsr_tas_nblkrows_total.html b/develop/proc/dbcsr_tas_nblkrows_total.html index c616dcce372..d16a3df686d 100644 --- a/develop/proc/dbcsr_tas_nblkrows_total.html +++ b/develop/proc/dbcsr_tas_nblkrows_total.html @@ -152,7 +152,7 @@

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    @@ -170,7 +170,7 @@

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    Return Value - + integer(kind=int_8)

    diff --git a/develop/proc/dbcsr_tas_nfullcols_total.html b/develop/proc/dbcsr_tas_nfullcols_total.html index 7e216d209f8..383aca55feb 100644 --- a/develop/proc/dbcsr_tas_nfullcols_total.html +++ b/develop/proc/dbcsr_tas_nfullcols_total.html @@ -152,7 +152,7 @@

    Arguments

    @@ -170,7 +170,7 @@

    Arguments

    Return Value - + integer(kind=int_8)

    diff --git a/develop/proc/dbcsr_tas_nfullrows_total.html b/develop/proc/dbcsr_tas_nfullrows_total.html index c54bb0566ac..6ff356a7484 100644 --- a/develop/proc/dbcsr_tas_nfullrows_total.html +++ b/develop/proc/dbcsr_tas_nfullrows_total.html @@ -152,7 +152,7 @@

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    @@ -170,7 +170,7 @@

    Arguments

    Return Value - + integer(kind=int_8)

    diff --git a/develop/proc/dbcsr_tas_put_block_area.html b/develop/proc/dbcsr_tas_put_block_area.html index cbb15b3ea16..4d8767b3d46 100644 --- a/develop/proc/dbcsr_tas_put_block_area.html +++ b/develop/proc/dbcsr_tas_put_block_area.html @@ -153,7 +153,7 @@

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    diff --git a/develop/proc/dbcsr_tas_put_block_c_dp.html b/develop/proc/dbcsr_tas_put_block_c_dp.html index be5693788aa..e87aa5c2edb 100644 --- a/develop/proc/dbcsr_tas_put_block_c_dp.html +++ b/develop/proc/dbcsr_tas_put_block_c_dp.html @@ -152,7 +152,7 @@

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    diff --git a/develop/proc/dbcsr_tas_put_block_c_sp.html b/develop/proc/dbcsr_tas_put_block_c_sp.html index 76d5a72632a..30eb0ba7692 100644 --- a/develop/proc/dbcsr_tas_put_block_c_sp.html +++ b/develop/proc/dbcsr_tas_put_block_c_sp.html @@ -152,7 +152,7 @@

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    diff --git a/develop/proc/dbcsr_tas_put_block_r_dp.html b/develop/proc/dbcsr_tas_put_block_r_dp.html index 0a2c6d296b2..547d6ce582c 100644 --- a/develop/proc/dbcsr_tas_put_block_r_dp.html +++ b/develop/proc/dbcsr_tas_put_block_r_dp.html @@ -152,7 +152,7 @@

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    diff --git a/develop/proc/dbcsr_tas_put_block_r_sp.html b/develop/proc/dbcsr_tas_put_block_r_sp.html index bc7d4d345cb..9b03990028d 100644 --- a/develop/proc/dbcsr_tas_put_block_r_sp.html +++ b/develop/proc/dbcsr_tas_put_block_r_sp.html @@ -152,7 +152,7 @@

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    diff --git a/develop/proc/dbcsr_tas_random_bsizes.html b/develop/proc/dbcsr_tas_random_bsizes.html index 3b7a68dbd62..652214eb8fd 100644 --- a/develop/proc/dbcsr_tas_random_bsizes.html +++ b/develop/proc/dbcsr_tas_random_bsizes.html @@ -153,7 +153,7 @@

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    diff --git a/develop/proc/dbcsr_tas_replicate.html b/develop/proc/dbcsr_tas_replicate.html index 4d7a7562dc5..15f5f25b568 100644 --- a/develop/proc/dbcsr_tas_replicate.html +++ b/develop/proc/dbcsr_tas_replicate.html @@ -153,7 +153,7 @@

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    diff --git a/develop/proc/dbcsr_tas_reserve_blocks_index.html b/develop/proc/dbcsr_tas_reserve_blocks_index.html index b257c8d106f..914b790728b 100644 --- a/develop/proc/dbcsr_tas_reserve_blocks_index.html +++ b/develop/proc/dbcsr_tas_reserve_blocks_index.html @@ -153,7 +153,7 @@

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    diff --git a/develop/proc/dbcsr_tas_reserve_blocks_template.html b/develop/proc/dbcsr_tas_reserve_blocks_template.html index d7b54655a75..7ce93cbc242 100644 --- a/develop/proc/dbcsr_tas_reserve_blocks_template.html +++ b/develop/proc/dbcsr_tas_reserve_blocks_template.html @@ -154,7 +154,7 @@

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    @@ -169,7 +169,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_tas_reshape.html b/develop/proc/dbcsr_tas_reshape.html index 5d0a4bc7b13..072d9c067bc 100644 --- a/develop/proc/dbcsr_tas_reshape.html +++ b/develop/proc/dbcsr_tas_reshape.html @@ -153,7 +153,7 @@

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    diff --git a/develop/proc/dbcsr_tas_result_index.html b/develop/proc/dbcsr_tas_result_index.html index 22b93b2cdf9..c4160271b2d 100644 --- a/develop/proc/dbcsr_tas_result_index.html +++ b/develop/proc/dbcsr_tas_result_index.html @@ -154,7 +154,7 @@

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    diff --git a/develop/proc/dbcsr_tas_set_batched_state.html b/develop/proc/dbcsr_tas_set_batched_state.html index cdefd7a5e07..5c94ec32b8d 100644 --- a/develop/proc/dbcsr_tas_set_batched_state.html +++ b/develop/proc/dbcsr_tas_set_batched_state.html @@ -153,7 +153,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_tas_set_c_dp.html b/develop/proc/dbcsr_tas_set_c_dp.html index 052fcce9ed0..1424430c876 100644 --- a/develop/proc/dbcsr_tas_set_c_dp.html +++ b/develop/proc/dbcsr_tas_set_c_dp.html @@ -153,7 +153,7 @@

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    @@ -168,7 +168,7 @@

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    diff --git a/develop/proc/dbcsr_tas_set_c_sp.html b/develop/proc/dbcsr_tas_set_c_sp.html index 9e66affb65b..2b956da6fee 100644 --- a/develop/proc/dbcsr_tas_set_c_sp.html +++ b/develop/proc/dbcsr_tas_set_c_sp.html @@ -153,7 +153,7 @@

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    @@ -168,7 +168,7 @@

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    diff --git a/develop/proc/dbcsr_tas_set_r_dp.html b/develop/proc/dbcsr_tas_set_r_dp.html index 1c754c1c208..3771c80d75a 100644 --- a/develop/proc/dbcsr_tas_set_r_dp.html +++ b/develop/proc/dbcsr_tas_set_r_dp.html @@ -153,7 +153,7 @@

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    diff --git a/develop/proc/dbcsr_tas_set_r_sp.html b/develop/proc/dbcsr_tas_set_r_sp.html index 7ed2fbe9cbb..a0f6998ec43 100644 --- a/develop/proc/dbcsr_tas_set_r_sp.html +++ b/develop/proc/dbcsr_tas_set_r_sp.html @@ -153,7 +153,7 @@

    Arguments

    @@ -168,7 +168,7 @@

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    diff --git a/develop/proc/dbcsr_tas_set_strict_split.html b/develop/proc/dbcsr_tas_set_strict_split.html index 3b5cafe1535..1673a031b36 100644 --- a/develop/proc/dbcsr_tas_set_strict_split.html +++ b/develop/proc/dbcsr_tas_set_strict_split.html @@ -153,7 +153,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_tas_setup_test_matrix.html b/develop/proc/dbcsr_tas_setup_test_matrix.html index 539dc22df69..cedb342433a 100644 --- a/develop/proc/dbcsr_tas_setup_test_matrix.html +++ b/develop/proc/dbcsr_tas_setup_test_matrix.html @@ -153,7 +153,7 @@

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    diff --git a/develop/proc/dbcsr_tas_test_mm.html b/develop/proc/dbcsr_tas_test_mm.html index f4a73f71df3..e5507d64c95 100644 --- a/develop/proc/dbcsr_tas_test_mm.html +++ b/develop/proc/dbcsr_tas_test_mm.html @@ -153,7 +153,7 @@

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    diff --git a/develop/proc/dbcsr_tas_write_dist.html b/develop/proc/dbcsr_tas_write_dist.html index 97c95323e77..802176fad37 100644 --- a/develop/proc/dbcsr_tas_write_dist.html +++ b/develop/proc/dbcsr_tas_write_dist.html @@ -153,7 +153,7 @@

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    @@ -168,7 +168,7 @@

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    diff --git a/develop/proc/dbcsr_tas_write_matrix_info.html b/develop/proc/dbcsr_tas_write_matrix_info.html index a1c4e1db0e3..e41d5ea32ea 100644 --- a/develop/proc/dbcsr_tas_write_matrix_info.html +++ b/develop/proc/dbcsr_tas_write_matrix_info.html @@ -153,7 +153,7 @@

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    @@ -168,7 +168,7 @@

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    diff --git a/develop/proc/dbcsr_tas_write_split_info.html b/develop/proc/dbcsr_tas_write_split_info.html index 71d29acd0f4..02bdadd05f1 100644 --- a/develop/proc/dbcsr_tas_write_split_info.html +++ b/develop/proc/dbcsr_tas_write_split_info.html @@ -153,7 +153,7 @@

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    @@ -168,7 +168,7 @@

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    diff --git a/develop/proc/dbcsr_test_scale_by_vectors.html b/develop/proc/dbcsr_test_scale_by_vectors.html index c2561e897ca..09e4d74cb65 100644 --- a/develop/proc/dbcsr_test_scale_by_vectors.html +++ b/develop/proc/dbcsr_test_scale_by_vectors.html @@ -184,7 +184,7 @@

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    @@ -309,7 +309,7 @@

    Arguments

    Return Value - + logical

    diff --git a/develop/proc/dbcsr_to_csr_filter.html b/develop/proc/dbcsr_to_csr_filter.html index fcf171cfda0..0237bdf2c26 100644 --- a/develop/proc/dbcsr_to_csr_filter.html +++ b/develop/proc/dbcsr_to_csr_filter.html @@ -190,7 +190,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_to_csr_filter~2.html b/develop/proc/dbcsr_to_csr_filter~2.html index c2e6f130697..bac6f842241 100644 --- a/develop/proc/dbcsr_to_csr_filter~2.html +++ b/develop/proc/dbcsr_to_csr_filter~2.html @@ -160,7 +160,7 @@

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    diff --git a/develop/proc/dbcsr_to_dense_local.html b/develop/proc/dbcsr_to_dense_local.html index 2c3f534fd7d..c9ed3cb6cef 100644 --- a/develop/proc/dbcsr_to_dense_local.html +++ b/develop/proc/dbcsr_to_dense_local.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_trace_c.html b/develop/proc/dbcsr_trace_c.html index 6e6a59b08ee..611de594ff0 100644 --- a/develop/proc/dbcsr_trace_c.html +++ b/develop/proc/dbcsr_trace_c.html @@ -74,20 +74,20 @@

    dbcsr_trace_c
  • 41 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_trace_c(matrix_a, trace)

    -

    traces a DBCSR matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    - + @@ -205,70 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_trace_c (matrix_a, trace)
-      !! traces a DBCSR matrix
+         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a
+         COMPLEX(kind=real_4), INTENT(OUT)                     :: trace
 
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a
-         !! DBCSR matrix
-         COMPLEX(kind=real_4), INTENT(INOUT)                   :: trace
-         !! the trace of the matrix
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_trace_c'
-
-         INTEGER                                  :: a_blk, a_col, a_col_size, &
-                                                     a_nze, a_row, a_row_size, i, &
-                                                     mynode, error_handle
-         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size, &
-                                                     row_dist, col_dist
-         COMPLEX(kind=real_4), DIMENSION(:), POINTER           :: a_data, data_p
-         INTEGER, DIMENSION(:, :), POINTER         :: pgrid
-         TYPE(dbcsr_distribution_obj)             :: dist
-
-!   ---------------------------------------------------------------------------
-         CALL timeset(routineN, error_handle)
-
-         row_blk_size => array_data(matrix_a%row_blk_size)
-         col_blk_size => array_data(matrix_a%col_blk_size)
-         IF (dbcsr_get_data_type(matrix_a) /= dbcsr_type_complex_4) &
-            DBCSR_ABORT("Incompatible data types")
-         CALL dbcsr_get_data(matrix_a%data_area, data_p)
-         dist = dbcsr_distribution(matrix_a)
-         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dist))
-         pgrid => dbcsr_mp_pgrid(dbcsr_distribution_mp(dist))
-         row_dist => dbcsr_distribution_row_dist(dist)
-         col_dist => dbcsr_distribution_col_dist(dist)
-         !
-         ! let's go
-         trace = REAL(0.0, real_4)
-         DO a_row = 1, matrix_a%nblkrows_total
-            a_row_size = row_blk_size(a_row)
-            DO a_blk = matrix_a%row_p(a_row) + 1, matrix_a%row_p(a_row + 1)
-               IF (a_blk .EQ. 0) CYCLE
-               a_col = matrix_a%col_i(a_blk)
-               IF (a_col .ne. a_row) CYCLE
-               ! We must skip non-local blocks in a replicated matrix.
-               IF (matrix_a%replication_type .NE. dbcsr_repl_full) THEN
-                  IF (mynode .NE. checker_square_proc(a_row, a_col, pgrid, row_dist, col_dist)) &
-                     CYCLE
-               END IF
-               a_col_size = col_blk_size(a_col)
-               IF (a_row_size .NE. a_col_size) &
-                  DBCSR_ABORT("is that a square matrix?")
-               a_nze = a_row_size**2
-               a_data => pointer_view(data_p, ABS(matrix_a%blk_p(a_blk)), &
-                                      ABS(matrix_a%blk_p(a_blk)) + a_nze - 1)
-               !data_a => matrix_a%data(ABS(matrix_a%blk_p(a_blk)):ABS(matrix_a%blk_p(a_blk))+a_nze-1)
-               !
-               ! let's trace the block
-               DO i = 1, a_row_size
-                  trace = trace + a_data((i - 1)*a_row_size + i)
-               END DO
-            END DO ! a_col
-         END DO ! a_row
-         !
-         ! summe
-         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
-
-         CALL timestop(error_handle)
+         CALL dbcsr_trace_prv(matrix_a%prv, trace)
       END SUBROUTINE dbcsr_trace_c
    diff --git a/develop/proc/dbcsr_trace_c~2.html b/develop/proc/dbcsr_trace_c~2.html index 187ee23a6b5..abd18a52245 100644 --- a/develop/proc/dbcsr_trace_c~2.html +++ b/develop/proc/dbcsr_trace_c~2.html @@ -74,20 +74,20 @@

    dbcsr_trace_c
  • 5 statements + title=" 0.1% of total for procedures.">41 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_trace_c(matrix_a, trace)

    +

    traces a DBCSR matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    - + @@ -204,10 +205,70 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_trace_c (matrix_a, trace)
-         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a
-         COMPLEX(kind=real_4), INTENT(OUT)                     :: trace
+      !! traces a DBCSR matrix
 
-         CALL dbcsr_trace_prv(matrix_a%prv, trace)
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a
+         !! DBCSR matrix
+         COMPLEX(kind=real_4), INTENT(INOUT)                   :: trace
+         !! the trace of the matrix
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_trace_c'
+
+         INTEGER                                  :: a_blk, a_col, a_col_size, &
+                                                     a_nze, a_row, a_row_size, i, &
+                                                     mynode, error_handle
+         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size, &
+                                                     row_dist, col_dist
+         COMPLEX(kind=real_4), DIMENSION(:), POINTER           :: a_data, data_p
+         INTEGER, DIMENSION(:, :), POINTER         :: pgrid
+         TYPE(dbcsr_distribution_obj)             :: dist
+
+!   ---------------------------------------------------------------------------
+         CALL timeset(routineN, error_handle)
+
+         row_blk_size => array_data(matrix_a%row_blk_size)
+         col_blk_size => array_data(matrix_a%col_blk_size)
+         IF (dbcsr_get_data_type(matrix_a) /= dbcsr_type_complex_4) &
+            DBCSR_ABORT("Incompatible data types")
+         CALL dbcsr_get_data(matrix_a%data_area, data_p)
+         dist = dbcsr_distribution(matrix_a)
+         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dist))
+         pgrid => dbcsr_mp_pgrid(dbcsr_distribution_mp(dist))
+         row_dist => dbcsr_distribution_row_dist(dist)
+         col_dist => dbcsr_distribution_col_dist(dist)
+         !
+         ! let's go
+         trace = REAL(0.0, real_4)
+         DO a_row = 1, matrix_a%nblkrows_total
+            a_row_size = row_blk_size(a_row)
+            DO a_blk = matrix_a%row_p(a_row) + 1, matrix_a%row_p(a_row + 1)
+               IF (a_blk .EQ. 0) CYCLE
+               a_col = matrix_a%col_i(a_blk)
+               IF (a_col .ne. a_row) CYCLE
+               ! We must skip non-local blocks in a replicated matrix.
+               IF (matrix_a%replication_type .NE. dbcsr_repl_full) THEN
+                  IF (mynode .NE. checker_square_proc(a_row, a_col, pgrid, row_dist, col_dist)) &
+                     CYCLE
+               END IF
+               a_col_size = col_blk_size(a_col)
+               IF (a_row_size .NE. a_col_size) &
+                  DBCSR_ABORT("is that a square matrix?")
+               a_nze = a_row_size**2
+               a_data => pointer_view(data_p, ABS(matrix_a%blk_p(a_blk)), &
+                                      ABS(matrix_a%blk_p(a_blk)) + a_nze - 1)
+               !data_a => matrix_a%data(ABS(matrix_a%blk_p(a_blk)):ABS(matrix_a%blk_p(a_blk))+a_nze-1)
+               !
+               ! let's trace the block
+               DO i = 1, a_row_size
+                  trace = trace + a_data((i - 1)*a_row_size + i)
+               END DO
+            END DO ! a_col
+         END DO ! a_row
+         !
+         ! summe
+         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
+
+         CALL timestop(error_handle)
       END SUBROUTINE dbcsr_trace_c
    diff --git a/develop/proc/dbcsr_trace_d.html b/develop/proc/dbcsr_trace_d.html index 6f0f16af6e7..1a35e5d8cc5 100644 --- a/develop/proc/dbcsr_trace_d.html +++ b/develop/proc/dbcsr_trace_d.html @@ -74,20 +74,20 @@

    dbcsr_trace_d
  • 41 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_trace_d(matrix_a, trace)

    -

    traces a DBCSR matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    - + @@ -205,70 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_trace_d (matrix_a, trace)
-      !! traces a DBCSR matrix
+         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a
+         REAL(kind=real_8), INTENT(OUT)                     :: trace
 
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a
-         !! DBCSR matrix
-         REAL(kind=real_8), INTENT(INOUT)                   :: trace
-         !! the trace of the matrix
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_trace_d'
-
-         INTEGER                                  :: a_blk, a_col, a_col_size, &
-                                                     a_nze, a_row, a_row_size, i, &
-                                                     mynode, error_handle
-         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size, &
-                                                     row_dist, col_dist
-         REAL(kind=real_8), DIMENSION(:), POINTER           :: a_data, data_p
-         INTEGER, DIMENSION(:, :), POINTER         :: pgrid
-         TYPE(dbcsr_distribution_obj)             :: dist
-
-!   ---------------------------------------------------------------------------
-         CALL timeset(routineN, error_handle)
-
-         row_blk_size => array_data(matrix_a%row_blk_size)
-         col_blk_size => array_data(matrix_a%col_blk_size)
-         IF (dbcsr_get_data_type(matrix_a) /= dbcsr_type_real_8) &
-            DBCSR_ABORT("Incompatible data types")
-         CALL dbcsr_get_data(matrix_a%data_area, data_p)
-         dist = dbcsr_distribution(matrix_a)
-         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dist))
-         pgrid => dbcsr_mp_pgrid(dbcsr_distribution_mp(dist))
-         row_dist => dbcsr_distribution_row_dist(dist)
-         col_dist => dbcsr_distribution_col_dist(dist)
-         !
-         ! let's go
-         trace = REAL(0.0, real_8)
-         DO a_row = 1, matrix_a%nblkrows_total
-            a_row_size = row_blk_size(a_row)
-            DO a_blk = matrix_a%row_p(a_row) + 1, matrix_a%row_p(a_row + 1)
-               IF (a_blk .EQ. 0) CYCLE
-               a_col = matrix_a%col_i(a_blk)
-               IF (a_col .ne. a_row) CYCLE
-               ! We must skip non-local blocks in a replicated matrix.
-               IF (matrix_a%replication_type .NE. dbcsr_repl_full) THEN
-                  IF (mynode .NE. checker_square_proc(a_row, a_col, pgrid, row_dist, col_dist)) &
-                     CYCLE
-               END IF
-               a_col_size = col_blk_size(a_col)
-               IF (a_row_size .NE. a_col_size) &
-                  DBCSR_ABORT("is that a square matrix?")
-               a_nze = a_row_size**2
-               a_data => pointer_view(data_p, ABS(matrix_a%blk_p(a_blk)), &
-                                      ABS(matrix_a%blk_p(a_blk)) + a_nze - 1)
-               !data_a => matrix_a%data(ABS(matrix_a%blk_p(a_blk)):ABS(matrix_a%blk_p(a_blk))+a_nze-1)
-               !
-               ! let's trace the block
-               DO i = 1, a_row_size
-                  trace = trace + a_data((i - 1)*a_row_size + i)
-               END DO
-            END DO ! a_col
-         END DO ! a_row
-         !
-         ! summe
-         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
-
-         CALL timestop(error_handle)
+         CALL dbcsr_trace_prv(matrix_a%prv, trace)
       END SUBROUTINE dbcsr_trace_d
    diff --git a/develop/proc/dbcsr_trace_d~2.html b/develop/proc/dbcsr_trace_d~2.html index 3cd6604e004..82acb4bacd9 100644 --- a/develop/proc/dbcsr_trace_d~2.html +++ b/develop/proc/dbcsr_trace_d~2.html @@ -74,20 +74,20 @@

    dbcsr_trace_d
  • 5 statements + title=" 0.1% of total for procedures.">41 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_trace_d(matrix_a, trace)

    +

    traces a DBCSR matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    - + @@ -204,10 +205,70 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_trace_d (matrix_a, trace)
-         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a
-         REAL(kind=real_8), INTENT(OUT)                     :: trace
+      !! traces a DBCSR matrix
 
-         CALL dbcsr_trace_prv(matrix_a%prv, trace)
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a
+         !! DBCSR matrix
+         REAL(kind=real_8), INTENT(INOUT)                   :: trace
+         !! the trace of the matrix
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_trace_d'
+
+         INTEGER                                  :: a_blk, a_col, a_col_size, &
+                                                     a_nze, a_row, a_row_size, i, &
+                                                     mynode, error_handle
+         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size, &
+                                                     row_dist, col_dist
+         REAL(kind=real_8), DIMENSION(:), POINTER           :: a_data, data_p
+         INTEGER, DIMENSION(:, :), POINTER         :: pgrid
+         TYPE(dbcsr_distribution_obj)             :: dist
+
+!   ---------------------------------------------------------------------------
+         CALL timeset(routineN, error_handle)
+
+         row_blk_size => array_data(matrix_a%row_blk_size)
+         col_blk_size => array_data(matrix_a%col_blk_size)
+         IF (dbcsr_get_data_type(matrix_a) /= dbcsr_type_real_8) &
+            DBCSR_ABORT("Incompatible data types")
+         CALL dbcsr_get_data(matrix_a%data_area, data_p)
+         dist = dbcsr_distribution(matrix_a)
+         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dist))
+         pgrid => dbcsr_mp_pgrid(dbcsr_distribution_mp(dist))
+         row_dist => dbcsr_distribution_row_dist(dist)
+         col_dist => dbcsr_distribution_col_dist(dist)
+         !
+         ! let's go
+         trace = REAL(0.0, real_8)
+         DO a_row = 1, matrix_a%nblkrows_total
+            a_row_size = row_blk_size(a_row)
+            DO a_blk = matrix_a%row_p(a_row) + 1, matrix_a%row_p(a_row + 1)
+               IF (a_blk .EQ. 0) CYCLE
+               a_col = matrix_a%col_i(a_blk)
+               IF (a_col .ne. a_row) CYCLE
+               ! We must skip non-local blocks in a replicated matrix.
+               IF (matrix_a%replication_type .NE. dbcsr_repl_full) THEN
+                  IF (mynode .NE. checker_square_proc(a_row, a_col, pgrid, row_dist, col_dist)) &
+                     CYCLE
+               END IF
+               a_col_size = col_blk_size(a_col)
+               IF (a_row_size .NE. a_col_size) &
+                  DBCSR_ABORT("is that a square matrix?")
+               a_nze = a_row_size**2
+               a_data => pointer_view(data_p, ABS(matrix_a%blk_p(a_blk)), &
+                                      ABS(matrix_a%blk_p(a_blk)) + a_nze - 1)
+               !data_a => matrix_a%data(ABS(matrix_a%blk_p(a_blk)):ABS(matrix_a%blk_p(a_blk))+a_nze-1)
+               !
+               ! let's trace the block
+               DO i = 1, a_row_size
+                  trace = trace + a_data((i - 1)*a_row_size + i)
+               END DO
+            END DO ! a_col
+         END DO ! a_row
+         !
+         ! summe
+         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
+
+         CALL timestop(error_handle)
       END SUBROUTINE dbcsr_trace_d
    diff --git a/develop/proc/dbcsr_trace_s.html b/develop/proc/dbcsr_trace_s.html index 66ade6afd03..8da8a5089e7 100644 --- a/develop/proc/dbcsr_trace_s.html +++ b/develop/proc/dbcsr_trace_s.html @@ -74,20 +74,20 @@

    dbcsr_trace_s
  • 41 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_trace_s(matrix_a, trace)

    -

    traces a DBCSR matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    - + @@ -205,70 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_trace_s (matrix_a, trace)
-      !! traces a DBCSR matrix
+         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a
+         REAL(kind=real_4), INTENT(OUT)                     :: trace
 
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a
-         !! DBCSR matrix
-         REAL(kind=real_4), INTENT(INOUT)                   :: trace
-         !! the trace of the matrix
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_trace_s'
-
-         INTEGER                                  :: a_blk, a_col, a_col_size, &
-                                                     a_nze, a_row, a_row_size, i, &
-                                                     mynode, error_handle
-         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size, &
-                                                     row_dist, col_dist
-         REAL(kind=real_4), DIMENSION(:), POINTER           :: a_data, data_p
-         INTEGER, DIMENSION(:, :), POINTER         :: pgrid
-         TYPE(dbcsr_distribution_obj)             :: dist
-
-!   ---------------------------------------------------------------------------
-         CALL timeset(routineN, error_handle)
-
-         row_blk_size => array_data(matrix_a%row_blk_size)
-         col_blk_size => array_data(matrix_a%col_blk_size)
-         IF (dbcsr_get_data_type(matrix_a) /= dbcsr_type_real_4) &
-            DBCSR_ABORT("Incompatible data types")
-         CALL dbcsr_get_data(matrix_a%data_area, data_p)
-         dist = dbcsr_distribution(matrix_a)
-         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dist))
-         pgrid => dbcsr_mp_pgrid(dbcsr_distribution_mp(dist))
-         row_dist => dbcsr_distribution_row_dist(dist)
-         col_dist => dbcsr_distribution_col_dist(dist)
-         !
-         ! let's go
-         trace = REAL(0.0, real_4)
-         DO a_row = 1, matrix_a%nblkrows_total
-            a_row_size = row_blk_size(a_row)
-            DO a_blk = matrix_a%row_p(a_row) + 1, matrix_a%row_p(a_row + 1)
-               IF (a_blk .EQ. 0) CYCLE
-               a_col = matrix_a%col_i(a_blk)
-               IF (a_col .ne. a_row) CYCLE
-               ! We must skip non-local blocks in a replicated matrix.
-               IF (matrix_a%replication_type .NE. dbcsr_repl_full) THEN
-                  IF (mynode .NE. checker_square_proc(a_row, a_col, pgrid, row_dist, col_dist)) &
-                     CYCLE
-               END IF
-               a_col_size = col_blk_size(a_col)
-               IF (a_row_size .NE. a_col_size) &
-                  DBCSR_ABORT("is that a square matrix?")
-               a_nze = a_row_size**2
-               a_data => pointer_view(data_p, ABS(matrix_a%blk_p(a_blk)), &
-                                      ABS(matrix_a%blk_p(a_blk)) + a_nze - 1)
-               !data_a => matrix_a%data(ABS(matrix_a%blk_p(a_blk)):ABS(matrix_a%blk_p(a_blk))+a_nze-1)
-               !
-               ! let's trace the block
-               DO i = 1, a_row_size
-                  trace = trace + a_data((i - 1)*a_row_size + i)
-               END DO
-            END DO ! a_col
-         END DO ! a_row
-         !
-         ! summe
-         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
-
-         CALL timestop(error_handle)
+         CALL dbcsr_trace_prv(matrix_a%prv, trace)
       END SUBROUTINE dbcsr_trace_s
    diff --git a/develop/proc/dbcsr_trace_sd.html b/develop/proc/dbcsr_trace_sd.html index a72863a551c..1b33d98b371 100644 --- a/develop/proc/dbcsr_trace_sd.html +++ b/develop/proc/dbcsr_trace_sd.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_trace_s~2.html b/develop/proc/dbcsr_trace_s~2.html index 8d49f7d8166..93c5acf31ee 100644 --- a/develop/proc/dbcsr_trace_s~2.html +++ b/develop/proc/dbcsr_trace_s~2.html @@ -74,20 +74,20 @@

    dbcsr_trace_s
  • 5 statements + title=" 0.1% of total for procedures.">41 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_trace_s(matrix_a, trace)

    +

    traces a DBCSR matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    - + @@ -204,10 +205,70 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_trace_s (matrix_a, trace)
-         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a
-         REAL(kind=real_4), INTENT(OUT)                     :: trace
+      !! traces a DBCSR matrix
 
-         CALL dbcsr_trace_prv(matrix_a%prv, trace)
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a
+         !! DBCSR matrix
+         REAL(kind=real_4), INTENT(INOUT)                   :: trace
+         !! the trace of the matrix
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_trace_s'
+
+         INTEGER                                  :: a_blk, a_col, a_col_size, &
+                                                     a_nze, a_row, a_row_size, i, &
+                                                     mynode, error_handle
+         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size, &
+                                                     row_dist, col_dist
+         REAL(kind=real_4), DIMENSION(:), POINTER           :: a_data, data_p
+         INTEGER, DIMENSION(:, :), POINTER         :: pgrid
+         TYPE(dbcsr_distribution_obj)             :: dist
+
+!   ---------------------------------------------------------------------------
+         CALL timeset(routineN, error_handle)
+
+         row_blk_size => array_data(matrix_a%row_blk_size)
+         col_blk_size => array_data(matrix_a%col_blk_size)
+         IF (dbcsr_get_data_type(matrix_a) /= dbcsr_type_real_4) &
+            DBCSR_ABORT("Incompatible data types")
+         CALL dbcsr_get_data(matrix_a%data_area, data_p)
+         dist = dbcsr_distribution(matrix_a)
+         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dist))
+         pgrid => dbcsr_mp_pgrid(dbcsr_distribution_mp(dist))
+         row_dist => dbcsr_distribution_row_dist(dist)
+         col_dist => dbcsr_distribution_col_dist(dist)
+         !
+         ! let's go
+         trace = REAL(0.0, real_4)
+         DO a_row = 1, matrix_a%nblkrows_total
+            a_row_size = row_blk_size(a_row)
+            DO a_blk = matrix_a%row_p(a_row) + 1, matrix_a%row_p(a_row + 1)
+               IF (a_blk .EQ. 0) CYCLE
+               a_col = matrix_a%col_i(a_blk)
+               IF (a_col .ne. a_row) CYCLE
+               ! We must skip non-local blocks in a replicated matrix.
+               IF (matrix_a%replication_type .NE. dbcsr_repl_full) THEN
+                  IF (mynode .NE. checker_square_proc(a_row, a_col, pgrid, row_dist, col_dist)) &
+                     CYCLE
+               END IF
+               a_col_size = col_blk_size(a_col)
+               IF (a_row_size .NE. a_col_size) &
+                  DBCSR_ABORT("is that a square matrix?")
+               a_nze = a_row_size**2
+               a_data => pointer_view(data_p, ABS(matrix_a%blk_p(a_blk)), &
+                                      ABS(matrix_a%blk_p(a_blk)) + a_nze - 1)
+               !data_a => matrix_a%data(ABS(matrix_a%blk_p(a_blk)):ABS(matrix_a%blk_p(a_blk))+a_nze-1)
+               !
+               ! let's trace the block
+               DO i = 1, a_row_size
+                  trace = trace + a_data((i - 1)*a_row_size + i)
+               END DO
+            END DO ! a_col
+         END DO ! a_row
+         !
+         ! summe
+         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
+
+         CALL timestop(error_handle)
       END SUBROUTINE dbcsr_trace_s
    diff --git a/develop/proc/dbcsr_trace_z.html b/develop/proc/dbcsr_trace_z.html index facae70554b..c162a61b413 100644 --- a/develop/proc/dbcsr_trace_z.html +++ b/develop/proc/dbcsr_trace_z.html @@ -74,20 +74,20 @@

    dbcsr_trace_z
  • 41 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    private subroutine dbcsr_trace_z(matrix_a, trace)

    -

    traces a DBCSR matrix

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    - + @@ -205,70 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_trace_z (matrix_a, trace)
-      !! traces a DBCSR matrix
+         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a
+         COMPLEX(kind=real_8), INTENT(OUT)                     :: trace
 
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a
-         !! DBCSR matrix
-         COMPLEX(kind=real_8), INTENT(INOUT)                   :: trace
-         !! the trace of the matrix
-
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_trace_z'
-
-         INTEGER                                  :: a_blk, a_col, a_col_size, &
-                                                     a_nze, a_row, a_row_size, i, &
-                                                     mynode, error_handle
-         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size, &
-                                                     row_dist, col_dist
-         COMPLEX(kind=real_8), DIMENSION(:), POINTER           :: a_data, data_p
-         INTEGER, DIMENSION(:, :), POINTER         :: pgrid
-         TYPE(dbcsr_distribution_obj)             :: dist
-
-!   ---------------------------------------------------------------------------
-         CALL timeset(routineN, error_handle)
-
-         row_blk_size => array_data(matrix_a%row_blk_size)
-         col_blk_size => array_data(matrix_a%col_blk_size)
-         IF (dbcsr_get_data_type(matrix_a) /= dbcsr_type_complex_8) &
-            DBCSR_ABORT("Incompatible data types")
-         CALL dbcsr_get_data(matrix_a%data_area, data_p)
-         dist = dbcsr_distribution(matrix_a)
-         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dist))
-         pgrid => dbcsr_mp_pgrid(dbcsr_distribution_mp(dist))
-         row_dist => dbcsr_distribution_row_dist(dist)
-         col_dist => dbcsr_distribution_col_dist(dist)
-         !
-         ! let's go
-         trace = REAL(0.0, real_8)
-         DO a_row = 1, matrix_a%nblkrows_total
-            a_row_size = row_blk_size(a_row)
-            DO a_blk = matrix_a%row_p(a_row) + 1, matrix_a%row_p(a_row + 1)
-               IF (a_blk .EQ. 0) CYCLE
-               a_col = matrix_a%col_i(a_blk)
-               IF (a_col .ne. a_row) CYCLE
-               ! We must skip non-local blocks in a replicated matrix.
-               IF (matrix_a%replication_type .NE. dbcsr_repl_full) THEN
-                  IF (mynode .NE. checker_square_proc(a_row, a_col, pgrid, row_dist, col_dist)) &
-                     CYCLE
-               END IF
-               a_col_size = col_blk_size(a_col)
-               IF (a_row_size .NE. a_col_size) &
-                  DBCSR_ABORT("is that a square matrix?")
-               a_nze = a_row_size**2
-               a_data => pointer_view(data_p, ABS(matrix_a%blk_p(a_blk)), &
-                                      ABS(matrix_a%blk_p(a_blk)) + a_nze - 1)
-               !data_a => matrix_a%data(ABS(matrix_a%blk_p(a_blk)):ABS(matrix_a%blk_p(a_blk))+a_nze-1)
-               !
-               ! let's trace the block
-               DO i = 1, a_row_size
-                  trace = trace + a_data((i - 1)*a_row_size + i)
-               END DO
-            END DO ! a_col
-         END DO ! a_row
-         !
-         ! summe
-         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
-
-         CALL timestop(error_handle)
+         CALL dbcsr_trace_prv(matrix_a%prv, trace)
       END SUBROUTINE dbcsr_trace_z
    diff --git a/develop/proc/dbcsr_trace_z~2.html b/develop/proc/dbcsr_trace_z~2.html index a1087bb4ad3..ce59ac07cd7 100644 --- a/develop/proc/dbcsr_trace_z~2.html +++ b/develop/proc/dbcsr_trace_z~2.html @@ -74,20 +74,20 @@

    dbcsr_trace_z
  • 5 statements + title=" 0.1% of total for procedures.">41 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_trace_z(matrix_a, trace)

    +

    traces a DBCSR matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    - + @@ -204,10 +205,70 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_trace_z (matrix_a, trace)
-         TYPE(dbcsr_type), INTENT(IN)              :: matrix_a
-         COMPLEX(kind=real_8), INTENT(OUT)                     :: trace
+      !! traces a DBCSR matrix
 
-         CALL dbcsr_trace_prv(matrix_a%prv, trace)
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix_a
+         !! DBCSR matrix
+         COMPLEX(kind=real_8), INTENT(INOUT)                   :: trace
+         !! the trace of the matrix
+
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_trace_z'
+
+         INTEGER                                  :: a_blk, a_col, a_col_size, &
+                                                     a_nze, a_row, a_row_size, i, &
+                                                     mynode, error_handle
+         INTEGER, DIMENSION(:), POINTER           :: col_blk_size, row_blk_size, &
+                                                     row_dist, col_dist
+         COMPLEX(kind=real_8), DIMENSION(:), POINTER           :: a_data, data_p
+         INTEGER, DIMENSION(:, :), POINTER         :: pgrid
+         TYPE(dbcsr_distribution_obj)             :: dist
+
+!   ---------------------------------------------------------------------------
+         CALL timeset(routineN, error_handle)
+
+         row_blk_size => array_data(matrix_a%row_blk_size)
+         col_blk_size => array_data(matrix_a%col_blk_size)
+         IF (dbcsr_get_data_type(matrix_a) /= dbcsr_type_complex_8) &
+            DBCSR_ABORT("Incompatible data types")
+         CALL dbcsr_get_data(matrix_a%data_area, data_p)
+         dist = dbcsr_distribution(matrix_a)
+         mynode = dbcsr_mp_mynode(dbcsr_distribution_mp(dist))
+         pgrid => dbcsr_mp_pgrid(dbcsr_distribution_mp(dist))
+         row_dist => dbcsr_distribution_row_dist(dist)
+         col_dist => dbcsr_distribution_col_dist(dist)
+         !
+         ! let's go
+         trace = REAL(0.0, real_8)
+         DO a_row = 1, matrix_a%nblkrows_total
+            a_row_size = row_blk_size(a_row)
+            DO a_blk = matrix_a%row_p(a_row) + 1, matrix_a%row_p(a_row + 1)
+               IF (a_blk .EQ. 0) CYCLE
+               a_col = matrix_a%col_i(a_blk)
+               IF (a_col .ne. a_row) CYCLE
+               ! We must skip non-local blocks in a replicated matrix.
+               IF (matrix_a%replication_type .NE. dbcsr_repl_full) THEN
+                  IF (mynode .NE. checker_square_proc(a_row, a_col, pgrid, row_dist, col_dist)) &
+                     CYCLE
+               END IF
+               a_col_size = col_blk_size(a_col)
+               IF (a_row_size .NE. a_col_size) &
+                  DBCSR_ABORT("is that a square matrix?")
+               a_nze = a_row_size**2
+               a_data => pointer_view(data_p, ABS(matrix_a%blk_p(a_blk)), &
+                                      ABS(matrix_a%blk_p(a_blk)) + a_nze - 1)
+               !data_a => matrix_a%data(ABS(matrix_a%blk_p(a_blk)):ABS(matrix_a%blk_p(a_blk))+a_nze-1)
+               !
+               ! let's trace the block
+               DO i = 1, a_row_size
+                  trace = trace + a_data((i - 1)*a_row_size + i)
+               END DO
+            END DO ! a_col
+         END DO ! a_row
+         !
+         ! summe
+         CALL mp_sum(trace, dbcsr_mp_group(dbcsr_distribution_mp(matrix_a%dist)))
+
+         CALL timestop(error_handle)
       END SUBROUTINE dbcsr_trace_z
    diff --git a/develop/proc/dbcsr_transposed.html b/develop/proc/dbcsr_transposed.html index 4beb6c616bc..fb966fae66f 100644 --- a/develop/proc/dbcsr_transposed.html +++ b/develop/proc/dbcsr_transposed.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_transposed~2.html b/develop/proc/dbcsr_transposed~2.html index c146ba72fd3..24d06a25771 100644 --- a/develop/proc/dbcsr_transposed~2.html +++ b/develop/proc/dbcsr_transposed~2.html @@ -158,7 +158,7 @@

    Arguments

    @@ -173,7 +173,7 @@

    Arguments

    @@ -188,7 +188,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    @@ -218,7 +218,7 @@

    Arguments

    @@ -233,7 +233,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_triu.html b/develop/proc/dbcsr_triu.html index 1a786535412..53d379b9280 100644 --- a/develop/proc/dbcsr_triu.html +++ b/develop/proc/dbcsr_triu.html @@ -74,20 +74,20 @@

    dbcsr_triu
  • 25 statements + title=" 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -139,11 +139,10 @@

    Contents

    -

    public subroutine dbcsr_triu(matrix_a) +

    public subroutine dbcsr_triu(matrix)

    -

    triu of a dbcsr matrix

    Arguments

    @@ -159,17 +158,17 @@

    Arguments

    - + @@ -189,42 +188,10 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_triu(matrix_a)
-      !! triu of a dbcsr matrix
+    
       SUBROUTINE dbcsr_triu(matrix)
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
 
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
-         !! the matrix
-
-      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_triu'
-      INTEGER                                            :: blk, blk_nze, col, col_size, handle, i, &
-                                                            j, row, row_size
-      LOGICAL                                            :: tr
-      REAL(dp), DIMENSION(:, :), POINTER                 :: DATA
-      TYPE(dbcsr_iterator)                               :: iter
-
-!   ---------------------------------------------------------------------------
-
-      CALL timeset(routineN, handle)
-      CALL dbcsr_iterator_start(iter, matrix_a)
-
-      DO WHILE (dbcsr_iterator_blocks_left(iter))
-         CALL dbcsr_iterator_next_block(iter, row, col, DATA, tr, &
-                                        block_number=blk, row_size=row_size, col_size=col_size)
-         blk_nze = row_size*col_size
-         IF (row .GT. col) CALL dbcsr_remove_block(matrix_a, row, col, blk_nze, blk)
-         IF (row .EQ. col) THEN
-            DO j = 1, col_size
-            DO i = j + 1, row_size
-               DATA(i, j) = 0.0_dp
-            END DO
-            END DO
-         END IF
-      END DO
-
-      CALL dbcsr_iterator_stop(iter)
-
-      CALL dbcsr_finalize(matrix_a)
-      CALL timestop(handle)
+      CALL dbcsr_triu_prv(matrix%prv)
    END SUBROUTINE dbcsr_triu
 
    
 
diff --git a/develop/proc/dbcsr_triu~2.html b/develop/proc/dbcsr_triu~2.html
index 72e8a2a4445..946138b7e21 100644
--- a/develop/proc/dbcsr_triu~2.html
+++ b/develop/proc/dbcsr_triu~2.html
@@ -74,20 +74,20 @@ 
    dbcsr_triu
 
             
  • 
               4 statements
+                 title=" 0.0% of total for procedures.">25 statements
             
    • 
 
             
  • 
               
-               Source File
+               Source File
             
    •
    @@ -139,10 +139,11 @@

    Contents

    -

    public subroutine dbcsr_triu(matrix) +

    public subroutine dbcsr_triu(matrix_a)

    +

    triu of a dbcsr matrix

    Arguments

    @@ -158,17 +159,17 @@

    Arguments

    - + @@ -188,10 +189,42 @@

    Arguments

    Source Code

    - 
       SUBROUTINE dbcsr_triu(matrix)
-      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
+    
       SUBROUTINE dbcsr_triu(matrix_a)
+      !! triu of a dbcsr matrix
 
-      CALL dbcsr_triu_prv(matrix%prv)
+      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix_a
+         !! the matrix
+
+      CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_triu'
+      INTEGER                                            :: blk, blk_nze, col, col_size, handle, i, &
+                                                            j, row, row_size
+      LOGICAL                                            :: tr
+      REAL(dp), DIMENSION(:, :), POINTER                 :: DATA
+      TYPE(dbcsr_iterator)                               :: iter
+
+!   ---------------------------------------------------------------------------
+
+      CALL timeset(routineN, handle)
+      CALL dbcsr_iterator_start(iter, matrix_a)
+
+      DO WHILE (dbcsr_iterator_blocks_left(iter))
+         CALL dbcsr_iterator_next_block(iter, row, col, DATA, tr, &
+                                        block_number=blk, row_size=row_size, col_size=col_size)
+         blk_nze = row_size*col_size
+         IF (row .GT. col) CALL dbcsr_remove_block(matrix_a, row, col, blk_nze, blk)
+         IF (row .EQ. col) THEN
+            DO j = 1, col_size
+            DO i = j + 1, row_size
+               DATA(i, j) = 0.0_dp
+            END DO
+            END DO
+         END IF
+      END DO
+
+      CALL dbcsr_iterator_stop(iter)
+
+      CALL dbcsr_finalize(matrix_a)
+      CALL timestop(handle)
    END SUBROUTINE dbcsr_triu
 
    
 
diff --git a/develop/proc/dbcsr_type_1d_to_2d.html b/develop/proc/dbcsr_type_1d_to_2d.html
index be4ffccfad6..65137857f91 100644
--- a/develop/proc/dbcsr_type_1d_to_2d.html
+++ b/develop/proc/dbcsr_type_1d_to_2d.html
@@ -160,7 +160,7 @@ 
    Arguments
    diff --git a/develop/proc/dbcsr_type_2d_to_1d.html b/develop/proc/dbcsr_type_2d_to_1d.html index 3f03465491b..adb669fd680 100644 --- a/develop/proc/dbcsr_type_2d_to_1d.html +++ b/develop/proc/dbcsr_type_2d_to_1d.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_type_is_2d.html b/develop/proc/dbcsr_type_is_2d.html index ea56644bdb6..b8dc651d54a 100644 --- a/develop/proc/dbcsr_type_is_2d.html +++ b/develop/proc/dbcsr_type_is_2d.html @@ -160,7 +160,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_unpack_meta.html b/develop/proc/dbcsr_unpack_meta.html index a9c08cbe8b6..f9d4db981ee 100644 --- a/develop/proc/dbcsr_unpack_meta.html +++ b/develop/proc/dbcsr_unpack_meta.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_update_contiguous_blocks_c.html b/develop/proc/dbcsr_update_contiguous_blocks_c.html index 200c307a1a0..bdb30606b68 100644 --- a/develop/proc/dbcsr_update_contiguous_blocks_c.html +++ b/develop/proc/dbcsr_update_contiguous_blocks_c.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -264,7 +264,7 @@

    Arguments

    @@ -279,7 +279,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_update_contiguous_blocks_d.html b/develop/proc/dbcsr_update_contiguous_blocks_d.html index 14fca538d36..632af158b80 100644 --- a/develop/proc/dbcsr_update_contiguous_blocks_d.html +++ b/develop/proc/dbcsr_update_contiguous_blocks_d.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -264,7 +264,7 @@

    Arguments

    @@ -279,7 +279,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_update_contiguous_blocks_s.html b/develop/proc/dbcsr_update_contiguous_blocks_s.html index efa477c7b42..a2a529ea05c 100644 --- a/develop/proc/dbcsr_update_contiguous_blocks_s.html +++ b/develop/proc/dbcsr_update_contiguous_blocks_s.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

    Arguments

    @@ -264,7 +264,7 @@

    Arguments

    @@ -279,7 +279,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_update_contiguous_blocks_z.html b/develop/proc/dbcsr_update_contiguous_blocks_z.html index b80508488c1..9501843dc7c 100644 --- a/develop/proc/dbcsr_update_contiguous_blocks_z.html +++ b/develop/proc/dbcsr_update_contiguous_blocks_z.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -219,7 +219,7 @@

    Arguments

    @@ -234,7 +234,7 @@

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    @@ -264,7 +264,7 @@

    Arguments

    @@ -279,7 +279,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_use_mutable.html b/develop/proc/dbcsr_use_mutable.html index 0643f49955e..33f9fa85c2e 100644 --- a/develop/proc/dbcsr_use_mutable.html +++ b/develop/proc/dbcsr_use_mutable.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_valid_index.html b/develop/proc/dbcsr_valid_index.html index 926d34a8420..adefba1b69b 100644 --- a/develop/proc/dbcsr_valid_index.html +++ b/develop/proc/dbcsr_valid_index.html @@ -79,15 +79,15 @@

    dbcsr_valid_index
  • - Source File + Source File
    • @@ -143,7 +143,6 @@

    public pure function dbcsr_valid_index(matrix) result(valid_index)

    -

    Returns whether the index structure of the matrix is valid.

    Arguments

    @@ -159,8 +158,8 @@

    Arguments

    @@ -181,7 +180,7 @@

    Return Value logical

    -

    index validity

    +
    @@ -197,14 +196,10 @@

    Return Value

    Source Code

       PURE FUNCTION dbcsr_valid_index(matrix) RESULT(valid_index)
-      !! Returns whether the index structure of the matrix is valid.
-
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         !! verify index validity of this matrix
       LOGICAL                                            :: valid_index
-         !! index validity
 
-      valid_index = matrix%valid
+      valid_index = dbcsr_valid_index_prv(matrix%prv)
    END FUNCTION dbcsr_valid_index
    diff --git a/develop/proc/dbcsr_valid_index~2.html b/develop/proc/dbcsr_valid_index~2.html index 2a6d3508404..7f09974ca88 100644 --- a/develop/proc/dbcsr_valid_index~2.html +++ b/develop/proc/dbcsr_valid_index~2.html @@ -79,15 +79,15 @@

    dbcsr_valid_index
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    public pure function dbcsr_valid_index(matrix) result(valid_index)

    +

    Returns whether the index structure of the matrix is valid.

    Arguments

    @@ -158,8 +159,8 @@

    Arguments

    @@ -180,7 +181,7 @@

    Return Value logical

    - +

    index validity


    @@ -196,10 +197,14 @@

    Return Value

    Source Code

       PURE FUNCTION dbcsr_valid_index(matrix) RESULT(valid_index)
+      !! Returns whether the index structure of the matrix is valid.
+
       TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         !! verify index validity of this matrix
       LOGICAL                                            :: valid_index
+         !! index validity
 
-      valid_index = dbcsr_valid_index_prv(matrix%prv)
+      valid_index = matrix%valid
    END FUNCTION dbcsr_valid_index
    diff --git a/develop/proc/dbcsr_verify_matrix.html b/develop/proc/dbcsr_verify_matrix.html index 2e65b931c44..d0b0661e27e 100644 --- a/develop/proc/dbcsr_verify_matrix.html +++ b/develop/proc/dbcsr_verify_matrix.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_verify_matrix~2.html b/develop/proc/dbcsr_verify_matrix~2.html index 08d2f72318a..96b5208c0e9 100644 --- a/develop/proc/dbcsr_verify_matrix~2.html +++ b/develop/proc/dbcsr_verify_matrix~2.html @@ -159,7 +159,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_warn.html b/develop/proc/dbcsr_warn.html index b1442ff26ef..a394c04b3ea 100644 --- a/develop/proc/dbcsr_warn.html +++ b/develop/proc/dbcsr_warn.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_warn_handler.html b/develop/proc/dbcsr_warn_handler.html index 736b98acc2d..54933f08efa 100644 --- a/develop/proc/dbcsr_warn_handler.html +++ b/develop/proc/dbcsr_warn_handler.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_win_create_any.html b/develop/proc/dbcsr_win_create_any.html index 50db0c0be19..5787adad4ac 100644 --- a/develop/proc/dbcsr_win_create_any.html +++ b/develop/proc/dbcsr_win_create_any.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_wm_use_mutable.html b/develop/proc/dbcsr_wm_use_mutable.html index 1d228fef1dc..d9efea65d77 100644 --- a/develop/proc/dbcsr_wm_use_mutable.html +++ b/develop/proc/dbcsr_wm_use_mutable.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_work_create.html b/develop/proc/dbcsr_work_create.html index 1d230f7504b..8f866d0d9c4 100644 --- a/develop/proc/dbcsr_work_create.html +++ b/develop/proc/dbcsr_work_create.html @@ -158,7 +158,7 @@

    Arguments

    @@ -203,7 +203,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_work_create~2.html b/develop/proc/dbcsr_work_create~2.html index 7a082200ef0..c5c215f090d 100644 --- a/develop/proc/dbcsr_work_create~2.html +++ b/develop/proc/dbcsr_work_create~2.html @@ -159,7 +159,7 @@

    Arguments

    @@ -208,7 +208,7 @@

    Arguments

    @@ -240,7 +240,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_work_destroy.html b/develop/proc/dbcsr_work_destroy.html index fe3338a4247..c483ef74506 100644 --- a/develop/proc/dbcsr_work_destroy.html +++ b/develop/proc/dbcsr_work_destroy.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_work_destroy_all.html b/develop/proc/dbcsr_work_destroy_all.html index 214f8ccdecc..3b6cee59c03 100644 --- a/develop/proc/dbcsr_work_destroy_all.html +++ b/develop/proc/dbcsr_work_destroy_all.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/dbcsr_zero.html b/develop/proc/dbcsr_zero.html index 4be9717b1d4..0f555ad6d49 100644 --- a/develop/proc/dbcsr_zero.html +++ b/develop/proc/dbcsr_zero.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/delete_preconnection.html b/develop/proc/delete_preconnection.html index 472990cdc4d..43c1a53d0ca 100644 --- a/develop/proc/delete_preconnection.html +++ b/develop/proc/delete_preconnection.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/destroy_block.html b/develop/proc/destroy_block.html index f6b75c3bd78..2e2a6fedaff 100644 --- a/develop/proc/destroy_block.html +++ b/develop/proc/destroy_block.html @@ -153,7 +153,7 @@

    Arguments

    diff --git a/develop/proc/destroy_block_c_dp.html b/develop/proc/destroy_block_c_dp.html index ec791333084..f32220468ed 100644 --- a/develop/proc/destroy_block_c_dp.html +++ b/develop/proc/destroy_block_c_dp.html @@ -152,7 +152,7 @@

    Arguments

    diff --git a/develop/proc/destroy_block_c_sp.html b/develop/proc/destroy_block_c_sp.html index aac0c003830..b695c1fd275 100644 --- a/develop/proc/destroy_block_c_sp.html +++ b/develop/proc/destroy_block_c_sp.html @@ -152,7 +152,7 @@

    Arguments

    diff --git a/develop/proc/destroy_block_r_dp.html b/develop/proc/destroy_block_r_dp.html index ae741c35c1d..130492c52ac 100644 --- a/develop/proc/destroy_block_r_dp.html +++ b/develop/proc/destroy_block_r_dp.html @@ -152,7 +152,7 @@

    Arguments

    diff --git a/develop/proc/destroy_block_r_sp.html b/develop/proc/destroy_block_r_sp.html index 4dd19f8c83c..5024ac5c1c3 100644 --- a/develop/proc/destroy_block_r_sp.html +++ b/develop/proc/destroy_block_r_sp.html @@ -152,7 +152,7 @@

    Arguments

    diff --git a/develop/proc/destroy_nd_to_2d_mapping.html b/develop/proc/destroy_nd_to_2d_mapping.html index 26015ca356b..9f765802607 100644 --- a/develop/proc/destroy_nd_to_2d_mapping.html +++ b/develop/proc/destroy_nd_to_2d_mapping.html @@ -158,7 +158,7 @@

    Arguments

    diff --git a/develop/proc/dev2host_c4_1d.html b/develop/proc/dev2host_c4_1d.html index 6e173cbf454..c3fe2ff4326 100644 --- a/develop/proc/dev2host_c4_1d.html +++ b/develop/proc/dev2host_c4_1d.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dev2host_c8_1d.html b/develop/proc/dev2host_c8_1d.html index 07880e720df..281e5259871 100644 --- a/develop/proc/dev2host_c8_1d.html +++ b/develop/proc/dev2host_c8_1d.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dev2host_i4_1d.html b/develop/proc/dev2host_i4_1d.html index 3bdf535c5ea..5e56e131e9b 100644 --- a/develop/proc/dev2host_i4_1d.html +++ b/develop/proc/dev2host_i4_1d.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dev2host_i8_1d.html b/develop/proc/dev2host_i8_1d.html index 7d31909a939..2d314a6b90a 100644 --- a/develop/proc/dev2host_i8_1d.html +++ b/develop/proc/dev2host_i8_1d.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dev2host_r4_1d.html b/develop/proc/dev2host_r4_1d.html index 9e4070ed928..b04a2dd328f 100644 --- a/develop/proc/dev2host_r4_1d.html +++ b/develop/proc/dev2host_r4_1d.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dev2host_r8_1d.html b/develop/proc/dev2host_r8_1d.html index 2c04b1366b2..290045147cb 100644 --- a/develop/proc/dev2host_r8_1d.html +++ b/develop/proc/dev2host_r8_1d.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    diff --git a/develop/proc/dict_i4tuple_callstat_get.html b/develop/proc/dict_i4tuple_callstat_get.html index 28df0fa2307..61b80c5fc6f 100644 --- a/develop/proc/dict_i4tuple_callstat_get.html +++ b/develop/proc/dict_i4tuple_callstat_get.html @@ -176,7 +176,7 @@

    Arguments

    @@ -209,7 +209,7 @@

    Arguments

    Return Value - + type(call_stat_type), POINTER

    diff --git a/develop/proc/dict_i4tuple_callstat_haskey.html b/develop/proc/dict_i4tuple_callstat_haskey.html index 0cea85b7b62..fb82f642e2f 100644 --- a/develop/proc/dict_i4tuple_callstat_haskey.html +++ b/develop/proc/dict_i4tuple_callstat_haskey.html @@ -174,7 +174,7 @@

    Arguments

    @@ -192,7 +192,7 @@

    Arguments

    Return Value - + logical

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    Arguments

    diff --git a/develop/proc/list_callstackentry_del.html b/develop/proc/list_callstackentry_del.html index 63daef4dae9..02372fc14bb 100644 --- a/develop/proc/list_callstackentry_del.html +++ b/develop/proc/list_callstackentry_del.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

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    Arguments

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    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -192,7 +192,7 @@

    Arguments

    Return Value - + type(callstack_entry_type)

    diff --git a/develop/proc/list_callstackentry_init.html b/develop/proc/list_callstackentry_init.html index 21ac762ac89..af8fcce00d9 100644 --- a/develop/proc/list_callstackentry_init.html +++ b/develop/proc/list_callstackentry_init.html @@ -161,7 +161,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    diff --git a/develop/proc/list_callstackentry_insert.html b/develop/proc/list_callstackentry_insert.html index 45f89bfb254..1c04423cda4 100644 --- a/develop/proc/list_callstackentry_insert.html +++ b/develop/proc/list_callstackentry_insert.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    diff --git a/develop/proc/list_callstackentry_isready.html b/develop/proc/list_callstackentry_isready.html index ed96b529888..39a62d8f8be 100644 --- a/develop/proc/list_callstackentry_isready.html +++ b/develop/proc/list_callstackentry_isready.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + logical

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    Arguments

    @@ -178,7 +178,7 @@

    Arguments

    Return Value - + type(callstack_entry_type)

    diff --git a/develop/proc/list_callstackentry_pop.html b/develop/proc/list_callstackentry_pop.html index 6d787b5aec0..d393f9aa7f2 100644 --- a/develop/proc/list_callstackentry_pop.html +++ b/develop/proc/list_callstackentry_pop.html @@ -162,7 +162,7 @@

    Arguments

    @@ -180,7 +180,7 @@

    Arguments

    Return Value - + type(callstack_entry_type)

    diff --git a/develop/proc/list_callstackentry_push.html b/develop/proc/list_callstackentry_push.html index 65298856863..8ad68ba3114 100644 --- a/develop/proc/list_callstackentry_push.html +++ b/develop/proc/list_callstackentry_push.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/list_callstackentry_set.html b/develop/proc/list_callstackentry_set.html index ca67fc126af..cd5514097da 100644 --- a/develop/proc/list_callstackentry_set.html +++ b/develop/proc/list_callstackentry_set.html @@ -161,7 +161,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    diff --git a/develop/proc/list_callstackentry_size.html b/develop/proc/list_callstackentry_size.html index 049b088fbae..28a00010bd6 100644 --- a/develop/proc/list_callstackentry_size.html +++ b/develop/proc/list_callstackentry_size.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/list_routinereport_del.html b/develop/proc/list_routinereport_del.html index 22c67967ba3..d029f741035 100644 --- a/develop/proc/list_routinereport_del.html +++ b/develop/proc/list_routinereport_del.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/list_routinereport_get.html b/develop/proc/list_routinereport_get.html index 53886b99478..3dc331ef633 100644 --- a/develop/proc/list_routinereport_get.html +++ b/develop/proc/list_routinereport_get.html @@ -174,7 +174,7 @@

    Arguments

    @@ -192,7 +192,7 @@

    Arguments

    Return Value - + type(routine_report_type), POINTER

    diff --git a/develop/proc/list_routinereport_init.html b/develop/proc/list_routinereport_init.html index e1b84197a83..505bab23663 100644 --- a/develop/proc/list_routinereport_init.html +++ b/develop/proc/list_routinereport_init.html @@ -176,7 +176,7 @@

    Arguments

    diff --git a/develop/proc/list_routinereport_insert.html b/develop/proc/list_routinereport_insert.html index 162d7f0e414..8d3f444f3cf 100644 --- a/develop/proc/list_routinereport_insert.html +++ b/develop/proc/list_routinereport_insert.html @@ -175,7 +175,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    diff --git a/develop/proc/list_routinereport_isready.html b/develop/proc/list_routinereport_isready.html index 211a17dbf86..06b509542e6 100644 --- a/develop/proc/list_routinereport_isready.html +++ b/develop/proc/list_routinereport_isready.html @@ -177,7 +177,7 @@

    Arguments

    Return Value - + logical

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    Arguments

    Return Value - + type(routine_report_type), POINTER

    diff --git a/develop/proc/list_routinereport_pop.html b/develop/proc/list_routinereport_pop.html index 8e7b1b7e4c0..bd6b68c549a 100644 --- a/develop/proc/list_routinereport_pop.html +++ b/develop/proc/list_routinereport_pop.html @@ -180,7 +180,7 @@

    Arguments

    Return Value - + type(routine_report_type), POINTER

    diff --git a/develop/proc/list_routinereport_push.html b/develop/proc/list_routinereport_push.html index 38a0d64398d..cd4554fac5a 100644 --- a/develop/proc/list_routinereport_push.html +++ b/develop/proc/list_routinereport_push.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/list_routinereport_set.html b/develop/proc/list_routinereport_set.html index e0b98aecf07..08202a09832 100644 --- a/develop/proc/list_routinereport_set.html +++ b/develop/proc/list_routinereport_set.html @@ -176,7 +176,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    diff --git a/develop/proc/list_routinereport_size.html b/develop/proc/list_routinereport_size.html index 9e3046d71ee..16562566079 100644 --- a/develop/proc/list_routinereport_size.html +++ b/develop/proc/list_routinereport_size.html @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/list_routinestat_del.html b/develop/proc/list_routinestat_del.html index ba2d0f1b4c9..3a7779173ad 100644 --- a/develop/proc/list_routinestat_del.html +++ b/develop/proc/list_routinestat_del.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/list_routinestat_get.html b/develop/proc/list_routinestat_get.html index 667f94aff9b..20b4dd0ae55 100644 --- a/develop/proc/list_routinestat_get.html +++ b/develop/proc/list_routinestat_get.html @@ -174,7 +174,7 @@

    Arguments

    @@ -192,7 +192,7 @@

    Arguments

    Return Value - + type(routine_stat_type), POINTER

    diff --git a/develop/proc/list_routinestat_init.html b/develop/proc/list_routinestat_init.html index 383eeea08e8..9a385d65cf8 100644 --- a/develop/proc/list_routinestat_init.html +++ b/develop/proc/list_routinestat_init.html @@ -176,7 +176,7 @@

    Arguments

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    Arguments

    @@ -190,7 +190,7 @@

    Arguments

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    Arguments

    Return Value - + logical

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    Arguments

    Return Value - + type(routine_stat_type), POINTER

    diff --git a/develop/proc/list_routinestat_pop.html b/develop/proc/list_routinestat_pop.html index eadb57cb5cf..e1c8c47fa95 100644 --- a/develop/proc/list_routinestat_pop.html +++ b/develop/proc/list_routinestat_pop.html @@ -180,7 +180,7 @@

    Arguments

    Return Value - + type(routine_stat_type), POINTER

    diff --git a/develop/proc/list_routinestat_push.html b/develop/proc/list_routinestat_push.html index 09493ce9ccd..e5f050f4473 100644 --- a/develop/proc/list_routinestat_push.html +++ b/develop/proc/list_routinestat_push.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/list_routinestat_set.html b/develop/proc/list_routinestat_set.html index fda9ff027a1..1f1d51f7a45 100644 --- a/develop/proc/list_routinestat_set.html +++ b/develop/proc/list_routinestat_set.html @@ -176,7 +176,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    diff --git a/develop/proc/list_routinestat_size.html b/develop/proc/list_routinestat_size.html index 9232c2f1a6e..9ab1fbc6301 100644 --- a/develop/proc/list_routinestat_size.html +++ b/develop/proc/list_routinestat_size.html @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

    diff --git a/develop/proc/list_timerenv_clear.html b/develop/proc/list_timerenv_clear.html index 515d34ec468..167551d31ab 100644 --- a/develop/proc/list_timerenv_clear.html +++ b/develop/proc/list_timerenv_clear.html @@ -159,7 +159,7 @@

    Arguments

    diff --git a/develop/proc/list_timerenv_del.html b/develop/proc/list_timerenv_del.html index 84c0d50732e..cf8c675d2a3 100644 --- a/develop/proc/list_timerenv_del.html +++ b/develop/proc/list_timerenv_del.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/list_timerenv_destroy.html b/develop/proc/list_timerenv_destroy.html index 127fede49c6..286cfdb7579 100644 --- a/develop/proc/list_timerenv_destroy.html +++ b/develop/proc/list_timerenv_destroy.html @@ -161,7 +161,7 @@

    Arguments

    diff --git a/develop/proc/list_timerenv_get.html b/develop/proc/list_timerenv_get.html index c0cfa239eb7..c9cf77eac05 100644 --- a/develop/proc/list_timerenv_get.html +++ b/develop/proc/list_timerenv_get.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -192,7 +192,7 @@

    Arguments

    Return Value - + type(timer_env_type), POINTER

    diff --git a/develop/proc/list_timerenv_init.html b/develop/proc/list_timerenv_init.html index aa5b4120bb2..d509599d4c1 100644 --- a/develop/proc/list_timerenv_init.html +++ b/develop/proc/list_timerenv_init.html @@ -161,7 +161,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    diff --git a/develop/proc/list_timerenv_insert.html b/develop/proc/list_timerenv_insert.html index a39b3c95b0e..1f7ace15671 100644 --- a/develop/proc/list_timerenv_insert.html +++ b/develop/proc/list_timerenv_insert.html @@ -160,7 +160,7 @@

    Arguments

    @@ -175,7 +175,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    diff --git a/develop/proc/list_timerenv_isready.html b/develop/proc/list_timerenv_isready.html index cc7c8dfc348..05d218a0901 100644 --- a/develop/proc/list_timerenv_isready.html +++ b/develop/proc/list_timerenv_isready.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + logical

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    Arguments

    @@ -178,7 +178,7 @@

    Arguments

    Return Value - + type(timer_env_type), POINTER

    diff --git a/develop/proc/list_timerenv_pop.html b/develop/proc/list_timerenv_pop.html index 64fb2f9fc9f..5b9f806eb60 100644 --- a/develop/proc/list_timerenv_pop.html +++ b/develop/proc/list_timerenv_pop.html @@ -162,7 +162,7 @@

    Arguments

    @@ -180,7 +180,7 @@

    Arguments

    Return Value - + type(timer_env_type), POINTER

    diff --git a/develop/proc/list_timerenv_push.html b/develop/proc/list_timerenv_push.html index 3a8c3a6f64f..052943230d3 100644 --- a/develop/proc/list_timerenv_push.html +++ b/develop/proc/list_timerenv_push.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/list_timerenv_set.html b/develop/proc/list_timerenv_set.html index 4fe89d8a424..5d53527d83e 100644 --- a/develop/proc/list_timerenv_set.html +++ b/develop/proc/list_timerenv_set.html @@ -161,7 +161,7 @@

    Arguments

    @@ -176,7 +176,7 @@

    Arguments

    @@ -191,7 +191,7 @@

    Arguments

    diff --git a/develop/proc/list_timerenv_size.html b/develop/proc/list_timerenv_size.html index 1b53c5e1bfe..14044f13246 100644 --- a/develop/proc/list_timerenv_size.html +++ b/develop/proc/list_timerenv_size.html @@ -159,7 +159,7 @@

    Arguments

    @@ -177,7 +177,7 @@

    Arguments

    Return Value - + integer

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    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

    @@ -204,7 +204,7 @@

    Arguments

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    Arguments

    @@ -175,7 +175,7 @@

    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

    diff --git a/develop/proc/m_iargc.html b/develop/proc/m_iargc.html index f572a23e1bc..9cc2c74b3d6 100644 --- a/develop/proc/m_iargc.html +++ b/develop/proc/m_iargc.html @@ -146,7 +146,7 @@

    Arguments


    Return Value - + integer

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    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

    diff --git a/develop/proc/make_dense_data.html b/develop/proc/make_dense_data.html index 30826dfff2f..c87a16994e5 100644 --- a/develop/proc/make_dense_data.html +++ b/develop/proc/make_dense_data.html @@ -163,7 +163,7 @@

    Arguments

    @@ -193,7 +193,7 @@

    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

    @@ -300,7 +300,7 @@

    Arguments

    @@ -345,7 +345,7 @@

    Arguments

    @@ -362,7 +362,7 @@

    Arguments

    @@ -379,7 +379,7 @@

    Arguments

    diff --git a/develop/proc/make_dense_index.html b/develop/proc/make_dense_index.html index 1d0dc43baad..020da80d069 100644 --- a/develop/proc/make_dense_index.html +++ b/develop/proc/make_dense_index.html @@ -163,7 +163,7 @@

    Arguments

    @@ -178,7 +178,7 @@

    Arguments

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    Arguments

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    Arguments

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    Arguments

    @@ -272,7 +272,7 @@

    Arguments

    @@ -288,7 +288,7 @@

    Arguments

    @@ -304,7 +304,7 @@

    Arguments

    @@ -319,7 +319,7 @@

    Arguments

    diff --git a/develop/proc/make_index_canonical.html b/develop/proc/make_index_canonical.html index 9fcee412b40..5446cd81dc0 100644 --- a/develop/proc/make_index_canonical.html +++ b/develop/proc/make_index_canonical.html @@ -257,7 +257,7 @@

    Arguments

    diff --git a/develop/proc/make_index_triangular.html b/develop/proc/make_index_triangular.html index 79bd6a14e2c..2e92e2693d6 100644 --- a/develop/proc/make_index_triangular.html +++ b/develop/proc/make_index_triangular.html @@ -257,7 +257,7 @@

    Arguments

    diff --git a/develop/proc/make_layers_3d_ab.html b/develop/proc/make_layers_3d_ab.html index a96e13006b7..b581b4bd739 100644 --- a/develop/proc/make_layers_3d_ab.html +++ b/develop/proc/make_layers_3d_ab.html @@ -189,7 +189,7 @@

    Arguments

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    Arguments

    diff --git a/develop/proc/make_layers_3d_c_reduction.html b/develop/proc/make_layers_3d_c_reduction.html index 7c4b7732457..08608c6ebd6 100644 --- a/develop/proc/make_layers_3d_c_reduction.html +++ b/develop/proc/make_layers_3d_c_reduction.html @@ -174,7 +174,7 @@

    Arguments

    diff --git a/develop/proc/make_m2s.html b/develop/proc/make_m2s.html index da806900f4d..36e543eec7c 100644 --- a/develop/proc/make_m2s.html +++ b/develop/proc/make_m2s.html @@ -159,7 +159,7 @@

    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

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    Arguments

    @@ -429,7 +429,7 @@

    Arguments

    diff --git a/develop/proc/make_meta.html b/develop/proc/make_meta.html index 76ac24f4107..e91a4c03156 100644 --- a/develop/proc/make_meta.html +++ b/develop/proc/make_meta.html @@ -159,7 +159,7 @@

    Arguments

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    Arguments

    diff --git a/develop/proc/make_random_dbcsr_matrix.html b/develop/proc/make_random_dbcsr_matrix.html index 670b4fccd92..93c91f22f93 100644 --- a/develop/proc/make_random_dbcsr_matrix.html +++ b/develop/proc/make_random_dbcsr_matrix.html @@ -159,7 +159,7 @@

    Arguments

    @@ -174,7 +174,7 @@

    Arguments

    @@ -189,7 +189,7 @@

    Arguments

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    Arguments

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    Arguments

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    Arguments

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    dbcsr_config_type
  • 25 statements + title="

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    @@ -185,7 +185,7 @@

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    Components

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    Components

    @@ -423,7 +423,7 @@

    Components

    diff --git a/develop/type/dbcsr_data_obj.html b/develop/type/dbcsr_data_obj.html index fdbc1413fd9..41f48045269 100644 --- a/develop/type/dbcsr_data_obj.html +++ b/develop/type/dbcsr_data_obj.html @@ -114,7 +114,7 @@

    Variables

    - d + d
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    Components

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    Variables

    - d + d
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    Components

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    Variables

    @@ -189,7 +189,7 @@

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    @@ -170,7 +170,7 @@

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    @@ -187,7 +187,7 @@

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    Components

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    Variables

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    @@ -170,7 +170,7 @@

    Components

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    Components

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    Components

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    @@ -511,7 +511,7 @@

    Components

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    Components

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    Variables

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    @@ -166,7 +166,7 @@

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    Components

    @@ -387,7 +387,7 @@

    Components

    @@ -404,7 +404,7 @@

    Components

    diff --git a/develop/type/dbcsr_tas_blk_size_arb.html b/develop/type/dbcsr_tas_blk_size_arb.html index 1139bace14e..40d34eacc5d 100644 --- a/develop/type/dbcsr_tas_blk_size_arb.html +++ b/develop/type/dbcsr_tas_blk_size_arb.html @@ -154,7 +154,7 @@

    Type-Bound Procedures

    - DATA + DATA
    @@ -307,7 +307,7 @@

    Type-Bound Procedures

    - +

    procedure, public :: DATA => blk_size_arb diff --git a/develop/type/dbcsr_tas_blk_size_one.html b/develop/type/dbcsr_tas_blk_size_one.html index fe734a79457..4ccd1055119 100644 --- a/develop/type/dbcsr_tas_blk_size_one.html +++ b/develop/type/dbcsr_tas_blk_size_one.html @@ -153,7 +153,7 @@

    Type-Bound Procedures

    - DATA + DATA
    @@ -289,7 +289,7 @@

    Type-Bound Procedures

    - +

    procedure, public :: DATA => blk_size_one diff --git a/develop/type/dbcsr_tas_blk_size_repl.html b/develop/type/dbcsr_tas_blk_size_repl.html index 43b2fbcfea7..fc656e20643 100644 --- a/develop/type/dbcsr_tas_blk_size_repl.html +++ b/develop/type/dbcsr_tas_blk_size_repl.html @@ -155,7 +155,7 @@

    Type-Bound Procedures

    - DATA + DATA
    @@ -340,7 +340,7 @@

    Type-Bound Procedures

    - +

    procedure, public :: DATA => blk_size_repl diff --git a/develop/type/dbcsr_tas_blk_size_t.html b/develop/type/dbcsr_tas_blk_size_t.html index 9acfa03ea59..f4dcdb62651 100644 --- a/develop/type/dbcsr_tas_blk_size_t.html +++ b/develop/type/dbcsr_tas_blk_size_t.html @@ -116,8 +116,8 @@

    Variables

    nmrowcol nfullrowcol - dims - blk_size + dims + blk_size
    @@ -222,7 +222,7 @@

    Components

    @@ -239,7 +239,7 @@

    Components

    @@ -291,7 +291,7 @@

    Arguments

    diff --git a/develop/type/dbcsr_tas_dist_arb.html b/develop/type/dbcsr_tas_dist_arb.html index 4f47c4d3192..711c800b3dd 100644 --- a/develop/type/dbcsr_tas_dist_arb.html +++ b/develop/type/dbcsr_tas_dist_arb.html @@ -154,8 +154,8 @@

    Type-Bound Procedures

    @@ -338,7 +338,7 @@

    Type-Bound Procedures

    - +

    procedure, public :: dist => arb_dist @@ -412,7 +412,7 @@

    - +

    procedure, public :: rowcols => arb_rowcols diff --git a/develop/type/dbcsr_tas_dist_cyclic.html b/develop/type/dbcsr_tas_dist_cyclic.html index e57ffdebf9f..eb088bbe726 100644 --- a/develop/type/dbcsr_tas_dist_cyclic.html +++ b/develop/type/dbcsr_tas_dist_cyclic.html @@ -154,8 +154,8 @@

    Type-Bound Procedures

    @@ -338,7 +338,7 @@

    Type-Bound Procedures

    - +

    procedure, public :: dist => cyclic_dist @@ -412,7 +412,7 @@

    - +

    procedure, public :: rowcols => cyclic_rowcols diff --git a/develop/type/dbcsr_tas_dist_repl.html b/develop/type/dbcsr_tas_dist_repl.html index d83af92c33f..1fcc29491e4 100644 --- a/develop/type/dbcsr_tas_dist_repl.html +++ b/develop/type/dbcsr_tas_dist_repl.html @@ -119,7 +119,7 @@

    Variables

    dist_vec nmrowcol_local n_repl - dist_size + dist_size
    @@ -157,8 +157,8 @@

    Type-Bound Procedures

    @@ -276,7 +276,7 @@

    Components

    @@ -387,7 +387,7 @@

    Arguments

    @@ -422,7 +422,7 @@

    Type-Bound Procedures

    - +

    procedure, public :: dist => repl_dist @@ -496,7 +496,7 @@

    - +

    procedure, public :: rowcols => repl_rowcols diff --git a/develop/type/dbcsr_tas_dist_t.html b/develop/type/dbcsr_tas_dist_t.html index e218c980fce..b686c026e98 100644 --- a/develop/type/dbcsr_tas_dist_t.html +++ b/develop/type/dbcsr_tas_dist_t.html @@ -74,7 +74,7 @@

    dbcsr_tas_dist_t
  • 11 statements + title="

    1.0% of total for derived types.

    Including implementation: 159 statements, 9.3% of total for derived types.">11 statements
  • @@ -116,7 +116,7 @@

    Variables

    nprowcol nmrowcol - dims + dims dims_grid nd_dist
    @@ -156,8 +156,8 @@

    Type-Bound Procedures

    • @@ -224,7 +224,7 @@

    Components

    @@ -392,7 +392,7 @@

    Type-Bound Procedures

    - +

    procedure, public :: dist => tas_dist_t @@ -466,7 +466,7 @@

    - +

    procedure, public :: rowcols => tas_rowcols_t diff --git a/develop/type/dbcsr_tas_distribution.html b/develop/type/dbcsr_tas_distribution.html index 4a2bc089570..90ee08d9a98 100644 --- a/develop/type/dbcsr_tas_distribution.html +++ b/develop/type/dbcsr_tas_distribution.html @@ -142,8 +142,8 @@

    Type-Bound Procedures

    @@ -221,7 +221,7 @@

    Type-Bound Procedures

    - +

    procedure(rowcol_dist), public, deferred :: dist @@ -294,7 +294,7 @@

    - +

    procedure(dist_rowcols), public, deferred :: rowcols diff --git a/develop/type/dbcsr_tas_distribution_type.html b/develop/type/dbcsr_tas_distribution_type.html index 70363c338da..21a4b57329f 100644 --- a/develop/type/dbcsr_tas_distribution_type.html +++ b/develop/type/dbcsr_tas_distribution_type.html @@ -114,10 +114,10 @@

    Variables

    @@ -167,7 +167,7 @@

    Components

    @@ -184,7 +184,7 @@

    Components

    @@ -201,7 +201,7 @@

    Components

    @@ -218,7 +218,7 @@

    Components

    diff --git a/develop/type/dbcsr_tas_iterator.html b/develop/type/dbcsr_tas_iterator.html index 745f36f3b92..90a8b1f76e6 100644 --- a/develop/type/dbcsr_tas_iterator.html +++ b/develop/type/dbcsr_tas_iterator.html @@ -114,9 +114,9 @@

    Variables

    - info - dist - iter + info + dist + iter
    @@ -171,7 +171,7 @@

    Components

    @@ -188,7 +188,7 @@

    Components

    @@ -205,7 +205,7 @@

    Components

    diff --git a/develop/type/dbcsr_tas_rowcol_data.html b/develop/type/dbcsr_tas_rowcol_data.html index eb707529d9d..e71d2085c65 100644 --- a/develop/type/dbcsr_tas_rowcol_data.html +++ b/develop/type/dbcsr_tas_rowcol_data.html @@ -142,7 +142,7 @@

    Type-Bound Procedures

    - DATA + DATA
    @@ -220,7 +220,7 @@

    Type-Bound Procedures

    - +

    procedure(rowcol_data), public, deferred :: DATA diff --git a/develop/type/dbcsr_tas_split_info.html b/develop/type/dbcsr_tas_split_info.html index a447955fcb6..4be5ff7a475 100644 --- a/develop/type/dbcsr_tas_split_info.html +++ b/develop/type/dbcsr_tas_split_info.html @@ -114,17 +114,17 @@

    Variables

    @@ -173,7 +173,7 @@

    Components

    @@ -190,7 +190,7 @@

    Components

    @@ -207,7 +207,7 @@

    Components

    @@ -224,7 +224,7 @@

    Components

    @@ -241,7 +241,7 @@

    Components

    @@ -258,7 +258,7 @@

    Components

    @@ -292,7 +292,7 @@

    Components

    @@ -343,7 +343,7 @@

    Components

    diff --git a/develop/type/dbcsr_tas_type.html b/develop/type/dbcsr_tas_type.html index b181870c1c6..1e5c4903d7b 100644 --- a/develop/type/dbcsr_tas_type.html +++ b/develop/type/dbcsr_tas_type.html @@ -114,17 +114,17 @@

    Variables

    @@ -192,7 +192,7 @@

    Components

    @@ -209,7 +209,7 @@

    Components

    @@ -226,7 +226,7 @@

    Components

    @@ -243,7 +243,7 @@

    Components

    @@ -260,7 +260,7 @@

    Components

    @@ -294,7 +294,7 @@

    Components

    @@ -311,7 +311,7 @@

    Components

    @@ -328,7 +328,7 @@

    Components

    @@ -345,7 +345,7 @@

    Components

    diff --git a/develop/type/dbcsr_type.html b/develop/type/dbcsr_type.html index 587948e712a..ee86fd748e8 100644 --- a/develop/type/dbcsr_type.html +++ b/develop/type/dbcsr_type.html @@ -115,23 +115,23 @@

    Variables

    @@ -241,7 +241,7 @@

    Components

    @@ -258,7 +258,7 @@

    Components

    @@ -275,7 +275,7 @@

    Components

    @@ -292,7 +292,7 @@

    Components

    @@ -309,7 +309,7 @@

    Components

    @@ -327,7 +327,7 @@

    Components

    @@ -344,7 +344,7 @@

    Components

    @@ -361,7 +361,7 @@

    Components

    @@ -378,7 +378,7 @@

    Components

    @@ -395,7 +395,7 @@

    Components

    @@ -412,7 +412,7 @@

    Components

    @@ -429,7 +429,7 @@

    Components

    @@ -446,7 +446,7 @@

    Components

    @@ -463,7 +463,7 @@

    Components

    @@ -497,7 +497,7 @@

    Components

    @@ -514,7 +514,7 @@

    Components

    @@ -650,7 +650,7 @@

    Components

    @@ -667,7 +667,7 @@

    Components

    @@ -684,7 +684,7 @@

    Components

    @@ -701,7 +701,7 @@

    Components

    @@ -718,7 +718,7 @@

    Components

    @@ -735,7 +735,7 @@

    Components

    @@ -752,7 +752,7 @@

    Components

    @@ -769,7 +769,7 @@

    Components

    @@ -786,7 +786,7 @@

    Components

    @@ -803,7 +803,7 @@

    Components

    @@ -820,7 +820,7 @@

    Components

    @@ -837,7 +837,7 @@

    Components

    @@ -871,7 +871,7 @@

    Components

    @@ -888,7 +888,7 @@

    Components

    @@ -905,7 +905,7 @@

    Components

    @@ -939,7 +939,7 @@

    Components

    @@ -956,7 +956,7 @@

    Components

    @@ -973,7 +973,7 @@

    Components

    @@ -1007,7 +1007,7 @@

    Components

    @@ -1041,7 +1041,7 @@

    Components

    @@ -1058,7 +1058,7 @@

    Components

    diff --git a/develop/type/dbcsr_type_p.html b/develop/type/dbcsr_type_p.html index cde8c9629c2..6930ab01162 100644 --- a/develop/type/dbcsr_type_p.html +++ b/develop/type/dbcsr_type_p.html @@ -114,7 +114,7 @@

    Variables

    @@ -169,7 +169,7 @@

    Components

    diff --git a/develop/type/dbcsr_work_type.html b/develop/type/dbcsr_work_type.html index 860d60c017c..3677f642c4f 100644 --- a/develop/type/dbcsr_work_type.html +++ b/develop/type/dbcsr_work_type.html @@ -114,12 +114,12 @@

    Variables

    @@ -193,7 +193,7 @@

    Components

    @@ -210,7 +210,7 @@

    Components

    @@ -227,7 +227,7 @@

    Components

    @@ -244,7 +244,7 @@

    Components

    @@ -261,7 +261,7 @@

    Components

    diff --git a/develop/type/dgemm_join.html b/develop/type/dgemm_join.html index c10afb16917..3696586f45f 100644 --- a/develop/type/dgemm_join.html +++ b/develop/type/dgemm_join.html @@ -119,7 +119,7 @@

    Variables

    p_clast_klast_n - alpha + alphabeta @@ -260,7 +260,7 @@

    Components

    diff --git a/develop/type/dgemm_join~2.html b/develop/type/dgemm_join~2.html index 5c40f3cb0a3..66f2bb2085c 100644 --- a/develop/type/dgemm_join~2.html +++ b/develop/type/dgemm_join~2.html @@ -117,9 +117,9 @@

    Variables

    p_ap_bp_c - last_k + last_klast_n - alpha + alphabeta @@ -226,7 +226,7 @@

    Components

    @@ -260,7 +260,7 @@

    Components

    diff --git a/develop/type/dict_i4tuple_callstat_item_type.html b/develop/type/dict_i4tuple_callstat_item_type.html index 84ed018d9ad..d28c2e280b1 100644 --- a/develop/type/dict_i4tuple_callstat_item_type.html +++ b/develop/type/dict_i4tuple_callstat_item_type.html @@ -114,8 +114,8 @@

    Variables

    - key - value + key + value
    @@ -170,7 +170,7 @@

    Components

    @@ -187,7 +187,7 @@

    Components

    diff --git a/develop/type/dict_i4tuple_callstat_type.html b/develop/type/dict_i4tuple_callstat_type.html index 43feaee9dee..ad814ea4d59 100644 --- a/develop/type/dict_i4tuple_callstat_type.html +++ b/develop/type/dict_i4tuple_callstat_type.html @@ -115,7 +115,7 @@

    Variables

    @@ -187,7 +187,7 @@

    Components

    diff --git a/develop/type/dict_str_i4_item_type.html b/develop/type/dict_str_i4_item_type.html index ccc3332737e..e088595fbfa 100644 --- a/develop/type/dict_str_i4_item_type.html +++ b/develop/type/dict_str_i4_item_type.html @@ -114,8 +114,8 @@

    Variables

    - key - value + key + value
    @@ -170,7 +170,7 @@

    Components

    @@ -187,7 +187,7 @@

    Components

    diff --git a/develop/type/dict_str_i4_type.html b/develop/type/dict_str_i4_type.html index 8e884e205ec..a8fce29b55c 100644 --- a/develop/type/dict_str_i4_type.html +++ b/develop/type/dict_str_i4_type.html @@ -115,7 +115,7 @@

    Variables

    @@ -187,7 +187,7 @@

    Components

    diff --git a/develop/type/ele_type.html b/develop/type/ele_type.html index 0c52c779468..c31a410ad5f 100644 --- a/develop/type/ele_type.html +++ b/develop/type/ele_type.html @@ -114,8 +114,8 @@

    Variables

    - c - p + c + p
    @@ -164,7 +164,7 @@

    Components

    @@ -181,7 +181,7 @@

    Components

    diff --git a/develop/type/i_array_p.html b/develop/type/i_array_p.html index 1616155dfe6..147880f359b 100644 --- a/develop/type/i_array_p.html +++ b/develop/type/i_array_p.html @@ -114,7 +114,7 @@

    Variables

    - p + p
    @@ -169,7 +169,7 @@

    Components

    diff --git a/develop/type/list_callstackentry_type.html b/develop/type/list_callstackentry_type.html index 8278bee859e..90ee7a875b1 100644 --- a/develop/type/list_callstackentry_type.html +++ b/develop/type/list_callstackentry_type.html @@ -114,8 +114,8 @@

    Variables

    - arr - size + arr + size
    @@ -170,7 +170,7 @@

    Components

    @@ -187,7 +187,7 @@

    Components

    diff --git a/develop/type/list_routinereport_type.html b/develop/type/list_routinereport_type.html index 47ceb240ea4..09dd9508c00 100644 --- a/develop/type/list_routinereport_type.html +++ b/develop/type/list_routinereport_type.html @@ -114,8 +114,8 @@

    Variables

    - arr - size + arr + size
    @@ -170,7 +170,7 @@

    Components

    @@ -187,7 +187,7 @@

    Components

    diff --git a/develop/type/list_routinestat_type.html b/develop/type/list_routinestat_type.html index 82f5180219d..cd4491cf3fc 100644 --- a/develop/type/list_routinestat_type.html +++ b/develop/type/list_routinestat_type.html @@ -114,8 +114,8 @@

    Variables

    - arr - size + arr + size
    @@ -170,7 +170,7 @@

    Components

    @@ -187,7 +187,7 @@

    Components

    diff --git a/develop/type/list_timerenv_type.html b/develop/type/list_timerenv_type.html index fd5035d2464..d16f39fa6bb 100644 --- a/develop/type/list_timerenv_type.html +++ b/develop/type/list_timerenv_type.html @@ -114,8 +114,8 @@

    Variables

    - arr - size + arr + size
    @@ -170,7 +170,7 @@

    Components

    @@ -187,7 +187,7 @@

    Components

    diff --git a/develop/type/mn_local_sizes.html b/develop/type/mn_local_sizes.html index 345b7eb7de2..447927914e1 100644 --- a/develop/type/mn_local_sizes.html +++ b/develop/type/mn_local_sizes.html @@ -114,7 +114,7 @@

    Variables

    - sizes + sizes
    @@ -169,7 +169,7 @@

    Components

    diff --git a/develop/type/mp_comm_type.html b/develop/type/mp_comm_type.html index c3974e0d5c3..835df991802 100644 --- a/develop/type/mp_comm_type.html +++ b/develop/type/mp_comm_type.html @@ -114,7 +114,7 @@

    Variables

    @@ -185,7 +185,7 @@

    Components

    diff --git a/develop/type/mp_file_indexing_meta_type.html b/develop/type/mp_file_indexing_meta_type.html index 4050b366f1c..a98793517e1 100644 --- a/develop/type/mp_file_indexing_meta_type.html +++ b/develop/type/mp_file_indexing_meta_type.html @@ -114,7 +114,7 @@

    Variables

    @@ -170,7 +170,7 @@

    Components

    diff --git a/develop/type/mp_file_type.html b/develop/type/mp_file_type.html index 28efa8a17ee..b97d8860d27 100644 --- a/develop/type/mp_file_type.html +++ b/develop/type/mp_file_type.html @@ -114,7 +114,7 @@

    Variables

    @@ -185,7 +185,7 @@

    Components

    diff --git a/develop/type/mp_indexing_meta_type.html b/develop/type/mp_indexing_meta_type.html index b9cffb59149..17b4e967a82 100644 --- a/develop/type/mp_indexing_meta_type.html +++ b/develop/type/mp_indexing_meta_type.html @@ -114,7 +114,7 @@

    Variables

    @@ -170,7 +170,7 @@

    Components

    diff --git a/develop/type/mp_info_type.html b/develop/type/mp_info_type.html index af0e8a526e5..31d6d734c17 100644 --- a/develop/type/mp_info_type.html +++ b/develop/type/mp_info_type.html @@ -114,7 +114,7 @@

    Variables

    @@ -185,7 +185,7 @@

    Components

    diff --git a/develop/type/mp_perf_env_type.html b/develop/type/mp_perf_env_type.html index 864e3405872..003b8922b31 100644 --- a/develop/type/mp_perf_env_type.html +++ b/develop/type/mp_perf_env_type.html @@ -114,8 +114,8 @@

    Variables

    @@ -171,7 +171,7 @@

    Components

    @@ -188,7 +188,7 @@

    Components

    diff --git a/develop/type/mp_perf_type.html b/develop/type/mp_perf_type.html index 1005f1dd4b8..b4c685283a4 100644 --- a/develop/type/mp_perf_type.html +++ b/develop/type/mp_perf_type.html @@ -114,8 +114,8 @@

    Variables

    @@ -171,7 +171,7 @@

    Components

    @@ -188,7 +188,7 @@

    Components

    diff --git a/develop/type/mp_request_type.html b/develop/type/mp_request_type.html index 01645c0d3df..761888c5852 100644 --- a/develop/type/mp_request_type.html +++ b/develop/type/mp_request_type.html @@ -114,7 +114,7 @@

    Variables

    @@ -185,7 +185,7 @@

    Components

    diff --git a/develop/type/mp_win_type.html b/develop/type/mp_win_type.html index 08140059f31..598c4d4946f 100644 --- a/develop/type/mp_win_type.html +++ b/develop/type/mp_win_type.html @@ -114,7 +114,7 @@

    Variables

    @@ -185,7 +185,7 @@

    Components

    diff --git a/develop/type/nd_to_2d_mapping.html b/develop/type/nd_to_2d_mapping.html index fe8ea0910df..2ac6b26a953 100644 --- a/develop/type/nd_to_2d_mapping.html +++ b/develop/type/nd_to_2d_mapping.html @@ -114,18 +114,18 @@

    Variables

    @@ -180,7 +180,7 @@

    Components

    @@ -197,7 +197,7 @@

    Components

    @@ -214,7 +214,7 @@

    Components

    @@ -231,7 +231,7 @@

    Components

    @@ -248,7 +248,7 @@

    Components

    @@ -299,7 +299,7 @@

    Components

    @@ -316,7 +316,7 @@

    Components

    @@ -350,7 +350,7 @@

    Components

    @@ -367,7 +367,7 @@

    Components

    diff --git a/develop/type/preconnection_type.html b/develop/type/preconnection_type.html index 4a16a7d2318..306182ac29f 100644 --- a/develop/type/preconnection_type.html +++ b/develop/type/preconnection_type.html @@ -114,7 +114,7 @@

    Variables

    @@ -170,7 +170,7 @@

    Components

    diff --git a/develop/type/private_item_p_type_callstackentry.html b/develop/type/private_item_p_type_callstackentry.html index 7d8f7ff0898..7fb156ba448 100644 --- a/develop/type/private_item_p_type_callstackentry.html +++ b/develop/type/private_item_p_type_callstackentry.html @@ -114,7 +114,7 @@

    Variables

    - p + p
    @@ -169,7 +169,7 @@

    Components

    diff --git a/develop/type/private_item_p_type_i4tuple_callstat.html b/develop/type/private_item_p_type_i4tuple_callstat.html index e3be8329724..777275210f0 100644 --- a/develop/type/private_item_p_type_i4tuple_callstat.html +++ b/develop/type/private_item_p_type_i4tuple_callstat.html @@ -114,7 +114,7 @@

    Variables

    - p + p
    @@ -169,7 +169,7 @@

    Components

    diff --git a/develop/type/private_item_p_type_routinereport.html b/develop/type/private_item_p_type_routinereport.html index 13c944138a9..24c17f7f339 100644 --- a/develop/type/private_item_p_type_routinereport.html +++ b/develop/type/private_item_p_type_routinereport.html @@ -114,7 +114,7 @@

    Variables

    - p + p
    @@ -169,7 +169,7 @@

    Components

    diff --git a/develop/type/private_item_p_type_routinestat.html b/develop/type/private_item_p_type_routinestat.html index 5cb496f664e..21a07a86572 100644 --- a/develop/type/private_item_p_type_routinestat.html +++ b/develop/type/private_item_p_type_routinestat.html @@ -114,7 +114,7 @@

    Variables

    - p + p
    @@ -169,7 +169,7 @@

    Components

    diff --git a/develop/type/private_item_p_type_str_i4.html b/develop/type/private_item_p_type_str_i4.html index 35db712b401..988d2999aec 100644 --- a/develop/type/private_item_p_type_str_i4.html +++ b/develop/type/private_item_p_type_str_i4.html @@ -114,7 +114,7 @@

    Variables

    - p + p
    @@ -169,7 +169,7 @@

    Components

    diff --git a/develop/type/private_item_p_type_timerenv.html b/develop/type/private_item_p_type_timerenv.html index 91f53bdddf7..affa574e03c 100644 --- a/develop/type/private_item_p_type_timerenv.html +++ b/develop/type/private_item_p_type_timerenv.html @@ -114,7 +114,7 @@

    Variables

    - p + p
    @@ -169,7 +169,7 @@

    Components

    diff --git a/develop/type/private_item_type_callstackentry.html b/develop/type/private_item_type_callstackentry.html index 71b5006eda2..2377a3f3834 100644 --- a/develop/type/private_item_type_callstackentry.html +++ b/develop/type/private_item_type_callstackentry.html @@ -114,7 +114,7 @@

    Variables

    - value + value
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    diff --git a/develop/interface/dbcsr_tas_put_block~2.html b/develop/interface/dbcsr_tas_put_block~2.html index b7ad7cd5a5b..b76165e5833 100644 --- a/develop/interface/dbcsr_tas_put_block~2.html +++ b/develop/interface/dbcsr_tas_put_block~2.html @@ -173,7 +173,7 @@

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    diff --git a/develop/interface/dbcsr_tas_reserve_blocks.html b/develop/interface/dbcsr_tas_reserve_blocks.html index 0cd78921eb5..b41726e2b91 100644 --- a/develop/interface/dbcsr_tas_reserve_blocks.html +++ b/develop/interface/dbcsr_tas_reserve_blocks.html @@ -172,7 +172,7 @@

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    @@ -257,7 +257,7 @@

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    diff --git a/develop/interface/dbcsr_tas_set.html b/develop/interface/dbcsr_tas_set.html index 4f159b30a8e..c3a4ee171df 100644 --- a/develop/interface/dbcsr_tas_set.html +++ b/develop/interface/dbcsr_tas_set.html @@ -173,7 +173,7 @@

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    diff --git a/develop/interface/dbcsr_to_string.html b/develop/interface/dbcsr_to_string.html index 7aea623152a..018a90fe289 100644 --- a/develop/interface/dbcsr_to_string.html +++ b/develop/interface/dbcsr_to_string.html @@ -174,7 +174,7 @@

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    @@ -266,7 +266,7 @@

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    diff --git a/develop/interface/dbcsr_trace.html b/develop/interface/dbcsr_trace.html index 7f55c940b4b..3a4a0e62850 100644 --- a/develop/interface/dbcsr_trace.html +++ b/develop/interface/dbcsr_trace.html @@ -74,20 +74,20 @@

    dbcsr_trace
  • 3 statements + title="

    0.0% of total for procedures.

    Including implementation: 24 statements, 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -131,10 +131,10 @@

    Module Procedures

    @@ -154,11 +154,11 @@

    public interface dbcsr_trace

    Module Procedures

    -

    private subroutine dbcsr_trace_s(matrix_a, trace) +

    private subroutine dbcsr_trace_d(matrix_a, trace)

    -

    traces a DBCSR matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -353,7 +353,7 @@

    Arguments

    - + complex(kind=real_8), intent(in)
    - + type(dbcsr_t_type), intent(out)
    - + character(len=*), intent(in)
    - + type(dbcsr_t_distribution_type), intent(inout)
    - + integer, intent(in),
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    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(out)
    - + character(len=*), intent(in),
    - + type(dbcsr_t_distribution_type), intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_t_type), intent(out)
    - + integer, intent(in),
    - + character(len=*), intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + integer, intent(in),
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    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + integer, intent(in),
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    - + type(dbcsr_t_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + integer, intent(in),
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    - + type(dbcsr_t_type), intent(inout)
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    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + type(block_nd), intent(out)
    - + integer, intent(in),
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    - + integer, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
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    - + integer, intent(in),
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    - + integer, intent(in),
    - + complex(kind=real_8), intent(in),
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    - + integer, intent(in),
    - + type(block_nd), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
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    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_t_type), intent(inout)
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    - + complex(kind=real_8), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + type(array_list), intent(in)
    - + type(dbcsr_tas_type), intent(out)
    - + character(len=*), intent(in)
    - + type(dbcsr_tas_distribution_type), intent(inout)
    - + integer, intent(in),
    - + class(dbcsr_tas_rowcol_data), intent(in)
    - + class(dbcsr_tas_rowcol_data), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(out)
    - + character(len=*), intent(in),
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    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + type(dbcsr_data_obj), intent(inout)
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    - + real(kind=real_8),
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    - + type(dbcsr_data_obj)
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + type(dbcsr_tas_type), intent(inout)
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    - + complex(kind=real_8), intent(in),
    - + logical, intent(in),
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    - + complex(kind=real_8), intent(in),
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    - + integer(kind=int_8), intent(in)
    - + complex(kind=real_4), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + complex(kind=real_4), intent(in),
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in),
    - + integer(kind=int_8), intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + integer, intent(in)
    - + real(kind=dp), intent(in)
    - + logical, intent(in)
    @@ -173,8 +173,8 @@

    Arguments

    - + @@ -209,11 +209,11 @@

    Arguments

    -

    private subroutine dbcsr_trace_sd(matrix_a, trace) +

    private subroutine dbcsr_trace_s(matrix_a, trace)

    -

    Trace of DBCSR matrices

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -183,22 +183,22 @@

    Arguments

    		:: matrix_a -

    DBCSR matrix

    +
    - - real(kind=real_4), + + real(kind=real_8), intent(inout)intent(out) :: trace -

    the trace of the matrix

    +
    @@ -228,8 +228,8 @@

    Arguments

    - + @@ -264,11 +264,11 @@

    Arguments

    -

    private subroutine dbcsr_trace_c(matrix_a, trace) +

    private subroutine dbcsr_trace_z(matrix_a, trace)

    -

    traces a DBCSR matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -238,22 +238,22 @@

    Arguments

    		:: matrix_a -

    DBCSR matrices

    +
    - - real(kind=real_8), + + real(kind=real_4), intent(inout)intent(out) :: trace -

    the trace of the product of the matrices

    +
    @@ -283,8 +283,8 @@

    Arguments

    - + @@ -319,11 +319,11 @@

    Arguments

    -

    private subroutine dbcsr_trace_z(matrix_a, trace) +

    private subroutine dbcsr_trace_c(matrix_a, trace)

    -

    traces a DBCSR matrix

    +

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -293,22 +293,22 @@

    Arguments

    		:: matrix_a -

    DBCSR matrix

    +
    - - complex(kind=real_4), + + complex(kind=real_8), intent(inout)intent(out) :: trace -

    the trace of the matrix

    +
    @@ -338,8 +338,8 @@

    Arguments

    - + diff --git a/develop/interface/dbcsr_trace~2.html b/develop/interface/dbcsr_trace~2.html index 401e1b74dd8..cf200a61b45 100644 --- a/develop/interface/dbcsr_trace~2.html +++ b/develop/interface/dbcsr_trace~2.html @@ -74,20 +74,20 @@

    dbcsr_trace
  • 4 statements + title="

    0.0% of total for procedures.

    Including implementation: 144 statements, 0.2% of total for procedures.">3 statements
  • - Source File + Source File
    • @@ -131,10 +131,10 @@

    Module Procedures

    @@ -154,11 +154,11 @@

    public interface dbcsr_trace

    Module Procedures

    -

    private subroutine dbcsr_trace_d(matrix_a, trace) +

    private subroutine dbcsr_trace_s(matrix_a, trace)

    - +

    traces a DBCSR matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -348,22 +348,22 @@

    Arguments

    		:: matrix_a -

    DBCSR matrix

    +
    - - complex(kind=real_8), + + complex(kind=real_4), intent(inout)intent(out) :: trace -

    the trace of the matrix

    +
    @@ -173,8 +173,8 @@

    Arguments

    - + @@ -209,11 +209,11 @@

    Arguments

    -

    private subroutine dbcsr_trace_s(matrix_a, trace) +

    private subroutine dbcsr_trace_sd(matrix_a, trace)

    - +

    Trace of DBCSR matrices

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -183,22 +183,22 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrix
    - - real(kind=real_8), + + real(kind=real_4), intent(out)intent(inout) :: trace - +

    the trace of the matrix
    @@ -228,8 +228,8 @@

    Arguments

    - + @@ -264,11 +264,11 @@

    Arguments

    -

    private subroutine dbcsr_trace_z(matrix_a, trace) +

    private subroutine dbcsr_trace_c(matrix_a, trace)

    - +

    traces a DBCSR matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -238,22 +238,22 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrices
    - - real(kind=real_4), + + real(kind=real_8), intent(out)intent(inout) :: trace - +

    the trace of the product of the matrices
    @@ -283,8 +283,8 @@

    Arguments

    - + @@ -319,11 +319,11 @@

    Arguments

    -

    private subroutine dbcsr_trace_c(matrix_a, trace) +

    private subroutine dbcsr_trace_z(matrix_a, trace)

    - +

    traces a DBCSR matrix

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -293,22 +293,22 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrix
    - complex(kind=real_8), + complex(kind=real_4), intent(out)intent(inout) :: trace - +

    the trace of the matrix
    @@ -338,8 +338,8 @@

    Arguments

    - + diff --git a/develop/interface/dbcsr_warn_interface.html b/develop/interface/dbcsr_warn_interface.html index 5cddc29f647..4ab3c0a1586 100644 --- a/develop/interface/dbcsr_warn_interface.html +++ b/develop/interface/dbcsr_warn_interface.html @@ -153,7 +153,7 @@

    Arguments

    @@ -168,7 +168,7 @@

    Arguments

    diff --git a/develop/interface/dict_get.html b/develop/interface/dict_get.html index b8675d25605..d28ebc5368a 100644 --- a/develop/interface/dict_get.html +++ b/develop/interface/dict_get.html @@ -188,7 +188,7 @@

    Arguments

    @@ -265,7 +265,7 @@

    Arguments

    diff --git a/develop/interface/dict_haskey.html b/develop/interface/dict_haskey.html index 8c3389aa67f..fee9ae76482 100644 --- a/develop/interface/dict_haskey.html +++ b/develop/interface/dict_haskey.html @@ -186,7 +186,7 @@

    Arguments

    @@ -246,7 +246,7 @@

    Arguments

    diff --git a/develop/interface/dict_init.html b/develop/interface/dict_init.html index 06d0050c60f..943c8c75abe 100644 --- a/develop/interface/dict_init.html +++ b/develop/interface/dict_init.html @@ -186,7 +186,7 @@

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    @@ -241,7 +241,7 @@

    Arguments

    diff --git a/develop/interface/dict_set.html b/develop/interface/dict_set.html index 47181ed04b0..d7a815317e6 100644 --- a/develop/interface/dict_set.html +++ b/develop/interface/dict_set.html @@ -186,7 +186,7 @@

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    @@ -201,7 +201,7 @@

    Arguments

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    @@ -275,7 +275,7 @@

    Arguments

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    Arguments

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    @@ -525,7 +525,7 @@

    Arguments

    @@ -540,7 +540,7 @@

    Arguments

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    Arguments

    diff --git a/develop/interface/mp_test.html b/develop/interface/mp_test.html index 332d2723f40..e16711e8f19 100644 --- a/develop/interface/mp_test.html +++ b/develop/interface/mp_test.html @@ -170,7 +170,7 @@

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    @@ -251,7 +251,7 @@

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    @@ -326,7 +326,7 @@

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    @@ -401,7 +401,7 @@

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    @@ -476,7 +476,7 @@

    Arguments

    @@ -551,7 +551,7 @@

    Arguments

    diff --git a/develop/interface/mp_win_create.html b/develop/interface/mp_win_create.html index 5f47241e915..1640d8a35e0 100644 --- a/develop/interface/mp_win_create.html +++ b/develop/interface/mp_win_create.html @@ -175,7 +175,7 @@

    Arguments

    @@ -190,7 +190,7 @@

    Arguments

    @@ -205,7 +205,7 @@

    Arguments

    @@ -245,7 +245,7 @@

    Arguments

    @@ -260,7 +260,7 @@

    Arguments

    @@ -275,7 +275,7 @@

    Arguments

    @@ -315,7 +315,7 @@

    Arguments

    @@ -330,7 +330,7 @@

    Arguments

    @@ -345,7 +345,7 @@

    Arguments

    @@ -385,7 +385,7 @@

    Arguments

    @@ -400,7 +400,7 @@

    Arguments

    @@ -415,7 +415,7 @@

    Arguments

    @@ -455,7 +455,7 @@

    Arguments

    @@ -470,7 +470,7 @@

    Arguments

    @@ -485,7 +485,7 @@

    Arguments

    @@ -525,7 +525,7 @@

    Arguments

    @@ -540,7 +540,7 @@

    Arguments

    @@ -555,7 +555,7 @@

    Arguments

    diff --git a/develop/interface/pointer_rank_remap2.html b/develop/interface/pointer_rank_remap2.html index 0df94a58581..2a2c4d00cd6 100644 --- a/develop/interface/pointer_rank_remap2.html +++ b/develop/interface/pointer_rank_remap2.html @@ -191,7 +191,7 @@

    Arguments

    @@ -206,7 +206,7 @@

    Arguments

    @@ -277,7 +277,7 @@

    Arguments

    @@ -292,7 +292,7 @@

    Arguments

    @@ -363,7 +363,7 @@

    Arguments

    @@ -378,7 +378,7 @@

    Arguments

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    Arguments

    @@ -464,7 +464,7 @@

    Arguments

    @@ -535,7 +535,7 @@

    Arguments

    @@ -550,7 +550,7 @@

    Arguments

    @@ -621,7 +621,7 @@

    Arguments

    @@ -636,7 +636,7 @@

    Arguments

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    @@ -208,7 +208,7 @@

    Arguments

    @@ -271,7 +271,7 @@

    Arguments

    @@ -287,7 +287,7 @@

    Arguments

    @@ -350,7 +350,7 @@

    Arguments

    @@ -366,7 +366,7 @@

    Arguments

    @@ -429,7 +429,7 @@

    Arguments

    @@ -445,7 +445,7 @@

    Arguments

    @@ -508,7 +508,7 @@

    Arguments

    @@ -524,7 +524,7 @@

    Arguments

    @@ -587,7 +587,7 @@

    Arguments

    @@ -603,7 +603,7 @@

    Arguments

    @@ -665,7 +665,7 @@

    Arguments

    @@ -680,7 +680,7 @@

    Arguments

    diff --git a/develop/interface/roctxmarka.html b/develop/interface/roctxmarka.html index dc784a24f15..8ce7ea88bdb 100644 --- a/develop/interface/roctxmarka.html +++ b/develop/interface/roctxmarka.html @@ -153,7 +153,7 @@

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    Arguments

    @@ -168,7 +168,7 @@

    Arguments

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    Arguments

    @@ -168,7 +168,7 @@

    Arguments

    @@ -184,7 +184,7 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -348,22 +348,22 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrix
    - - complex(kind=real_4), + + complex(kind=real_8), intent(out)intent(inout) :: trace - +

    the trace of the matrix
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    - + type(list_callstackentry_type), intent(inout)
    - + type(list_timerenv_type), intent(inout)
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    -

    Return Value integer

    +

    Return Value integer

    Description

    map matrix rows/cols to distribution rows/cols:

    diff --git a/develop/interface/sort.html b/develop/interface/sort.html index b615872637e..e3bae59f15b 100644 --- a/develop/interface/sort.html +++ b/develop/interface/sort.html @@ -189,7 +189,7 @@

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    @@ -171,17 +171,34 @@

    Arguments

    - + - + + + + + + + + + @@ -192,11 +209,11 @@

    Arguments

    -

    private subroutine swap_i(arr) +

    private elemental subroutine bswap(a, b)

    - +

    Swaps two logicals

    Arguments

    - - integer(kind=int_8), + + integer, intent(inout),intent(inout) - DIMENSION(2) + ::arra - +

    Integers to swap +Integers to swap

    +
    + + integer, + intent(inout) + + ::b +

    Integers to swap +Integers to swap
    @@ -211,17 +228,34 @@

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    swap
  • 3 statements + title="

    0.0% of total for procedures.

    Including implementation: 18 statements, 0.0% of total for procedures.">4 statements
  • - Source File + Source File
    • @@ -131,8 +131,8 @@

    Module Procedures

    @@ -152,11 +152,11 @@

    public interface swap

    Module Procedures

    -

    private elemental subroutine iswap(a, b) +

    private subroutine swap_i8(arr)

    -

    Swaps two integers

    +

    Arguments

    - - integer, + + logical, intent(inout),intent(inout) - DIMENSION(2) + ::arra - +

    Logicals to swap +Logicals to swap

    +
    + + logical, + intent(inout) + + ::b +

    Logicals to swap +Logicals to swap
    @@ -171,34 +171,17 @@

    Arguments

    - + - + - - - - - - - - @@ -209,11 +192,11 @@

    Arguments

    -

    private elemental subroutine bswap(a, b) +

    private subroutine swap_i(arr)

    -

    Swaps two logicals

    +

    Arguments

    - - integer, + + integer(kind=int_8), intent(inout)intent(inout), - + DIMENSION(2) ::aarr -

    Integers to swap -Integers to swap

    -
    - - integer, - intent(inout) - - ::b -

    Integers to swap -Integers to swap

    +
    @@ -228,34 +211,17 @@

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    diff --git a/develop/module/dbcsr_acc_timings.html b/develop/module/dbcsr_acc_timings.html index 12ce15bb8f7..ddc9f37e730 100644 --- a/develop/module/dbcsr_acc_timings.html +++ b/develop/module/dbcsr_acc_timings.html @@ -113,7 +113,7 @@

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    diff --git a/develop/module/dbcsr_allocate_wrap.html b/develop/module/dbcsr_allocate_wrap.html index 4630d1cc353..a19807a836e 100644 --- a/develop/module/dbcsr_allocate_wrap.html +++ b/develop/module/dbcsr_allocate_wrap.html @@ -208,8 +208,8 @@

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    diff --git a/develop/module/dbcsr_api.html b/develop/module/dbcsr_api.html index 2cfd3082438..99af50d1a0c 100644 --- a/develop/module/dbcsr_api.html +++ b/develop/module/dbcsr_api.html @@ -113,7 +113,7 @@

    Variables

    @@ -132,20 +132,20 @@

    Interfaces

    dbcsr_create - dbcsr_trace - dbcsr_dot - dbcsr_set - dbcsr_add - dbcsr_add_on_diag - dbcsr_get_diag - dbcsr_set_diag - dbcsr_scale - dbcsr_scale_by_vector - dbcsr_multiply - dbcsr_get_block_p - dbcsr_put_block + dbcsr_trace + dbcsr_dot + dbcsr_set + dbcsr_add + dbcsr_add_on_diag + dbcsr_get_diag + dbcsr_set_diag + dbcsr_scale + dbcsr_scale_by_vector + dbcsr_multiply + dbcsr_get_block_p + dbcsr_put_block dbcsr_iterator_next_block - dbcsr_reserve_block2d + dbcsr_reserve_block2d dbcsr_csr_create dbcsr_get_wms_data_p dbcsr_get_data_p @@ -177,24 +177,24 @@

    Functions

    - dbcsr_gershgorin_norm - dbcsr_frobenius_norm - dbcsr_maxabs - dbcsr_get_data_type - dbcsr_valid_index - dbcsr_get_num_blocks - dbcsr_get_data_size - dbcsr_get_matrix_type - dbcsr_get_occupation - dbcsr_nblkrows_total - dbcsr_nblkcols_total - dbcsr_nblkrows_local - dbcsr_nblkcols_local - dbcsr_nfullrows_total - dbcsr_nfullcols_total + dbcsr_gershgorin_norm + dbcsr_frobenius_norm + dbcsr_maxabs + dbcsr_get_data_type + dbcsr_valid_index + dbcsr_get_num_blocks + dbcsr_get_data_size + dbcsr_get_matrix_type + dbcsr_get_occupation + dbcsr_nblkrows_total + dbcsr_nblkcols_total + dbcsr_nblkrows_local + dbcsr_nblkcols_local + dbcsr_nfullrows_total + dbcsr_nfullcols_total dbcsr_iterator_blocks_left dbcsr_checksum - dbcsr_has_symmetry + dbcsr_has_symmetry dbcsr_get_wms_data_d dbcsr_get_data_d dbcsr_get_wms_data_s @@ -215,33 +215,33 @@

    Subroutines

    dbcsr_mp_grid_setup - dbcsr_setname + dbcsr_setname dbcsr_complete_redistribute - dbcsr_reserve_blocks - dbcsr_reserve_all_blocks - dbcsr_reserve_diag_blocks + dbcsr_reserve_blocks + dbcsr_reserve_all_blocks + dbcsr_reserve_diag_blocks dbcsr_add_work_coordinate dbcsr_set_work_size - dbcsr_init_random + dbcsr_init_random dbcsr_get_stored_coordinates dbcsr_iterator_stop dbcsr_iterator_start dbcsr_iterator_next_block_index - dbcsr_get_info - dbcsr_distribution_get - dbcsr_distribution_hold - dbcsr_distribution_release - dbcsr_norm_scalar - dbcsr_norm_r8_vec + dbcsr_get_info + dbcsr_distribution_get + dbcsr_distribution_hold + dbcsr_distribution_release + dbcsr_norm_scalar + dbcsr_norm_r8_vec dbcsr_replicate_all dbcsr_distribute dbcsr_release_p - dbcsr_release + dbcsr_release dbcsr_init_p - dbcsr_print - dbcsr_print_block_sum - dbcsr_sum_replicated - dbcsr_triu + dbcsr_print + dbcsr_print_block_sum + dbcsr_sum_replicated + dbcsr_triu dbcsr_verify_matrix dbcsr_distribution_new dbcsr_print_statistics @@ -250,108 +250,108 @@

    Subroutines

    dbcsr_create_new dbcsr_create_template dbcsr_filter - dbcsr_get_block_diag - dbcsr_binary_write - dbcsr_binary_read - dbcsr_copy - dbcsr_copy_into_existing + dbcsr_get_block_diag + dbcsr_binary_write + dbcsr_binary_read + dbcsr_copy + dbcsr_copy_into_existing dbcsr_desymmetrize dbcsr_transposed - dbcsr_function_of_elements - dbcsr_hadamard_product + dbcsr_function_of_elements + dbcsr_hadamard_product dbcsr_deallocate_matrix csr_create_new dbcsr_csr_create_from_dbcsr dbcsr_convert_csr_to_dbcsr dbcsr_convert_dbcsr_to_csr dbcsr_to_csr_filter - dbcsr_clear - dbcsr_add_block_node + dbcsr_clear + dbcsr_add_block_node dbcsr_run_tests - dbcsr_reserve_block2d_d + dbcsr_reserve_block2d_d dbcsr_iterator_next_2d_block_d dbcsr_iterator_next_2d_block_notrans_d dbcsr_iterator_next_1d_block_d dbcsr_iterator_next_1d_block_notrans_d - dbcsr_put_block2d_d - dbcsr_put_block_d - dbcsr_get_2d_block_p_d + dbcsr_put_block2d_d + dbcsr_put_block_d + dbcsr_get_2d_block_p_d dbcsr_get_2d_block_notrans_p_d - dbcsr_get_block_p_d + dbcsr_get_block_p_d dbcsr_get_block_notrans_p_d - dbcsr_trace_d - dbcsr_dot_d - dbcsr_multiply_d - dbcsr_scale_by_vector_d - dbcsr_scale_d - dbcsr_set_d - dbcsr_add_d - dbcsr_add_on_diag_d - dbcsr_set_diag_d - dbcsr_get_diag_d - dbcsr_reserve_block2d_s + dbcsr_trace_d + dbcsr_dot_d + dbcsr_multiply_d + dbcsr_scale_by_vector_d + dbcsr_scale_d + dbcsr_set_d + dbcsr_add_d + dbcsr_add_on_diag_d + dbcsr_set_diag_d + dbcsr_get_diag_d + dbcsr_reserve_block2d_s dbcsr_iterator_next_2d_block_s dbcsr_iterator_next_2d_block_notrans_s dbcsr_iterator_next_1d_block_s dbcsr_iterator_next_1d_block_notrans_s - dbcsr_put_block2d_s - dbcsr_put_block_s - dbcsr_get_2d_block_p_s + dbcsr_put_block2d_s + dbcsr_put_block_s + dbcsr_get_2d_block_p_s dbcsr_get_2d_block_notrans_p_s - dbcsr_get_block_p_s + dbcsr_get_block_p_s dbcsr_get_block_notrans_p_s - dbcsr_trace_s - dbcsr_dot_s - dbcsr_multiply_s - dbcsr_scale_by_vector_s - dbcsr_scale_s - dbcsr_set_s - dbcsr_add_s - dbcsr_add_on_diag_s - dbcsr_set_diag_s - dbcsr_get_diag_s - dbcsr_reserve_block2d_z + dbcsr_trace_s + dbcsr_dot_s + dbcsr_multiply_s + dbcsr_scale_by_vector_s + dbcsr_scale_s + dbcsr_set_s + dbcsr_add_s + dbcsr_add_on_diag_s + dbcsr_set_diag_s + dbcsr_get_diag_s + dbcsr_reserve_block2d_z dbcsr_iterator_next_2d_block_z dbcsr_iterator_next_2d_block_notrans_z dbcsr_iterator_next_1d_block_z dbcsr_iterator_next_1d_block_notrans_z - dbcsr_put_block2d_z - dbcsr_put_block_z - dbcsr_get_2d_block_p_z + dbcsr_put_block2d_z + dbcsr_put_block_z + dbcsr_get_2d_block_p_z dbcsr_get_2d_block_notrans_p_z - dbcsr_get_block_p_z + dbcsr_get_block_p_z dbcsr_get_block_notrans_p_z - dbcsr_trace_z - dbcsr_dot_z - dbcsr_multiply_z - dbcsr_scale_by_vector_z - dbcsr_scale_z - dbcsr_set_z - dbcsr_add_z - dbcsr_add_on_diag_z - dbcsr_set_diag_z - dbcsr_get_diag_z - dbcsr_reserve_block2d_c + dbcsr_trace_z + dbcsr_dot_z + dbcsr_multiply_z + dbcsr_scale_by_vector_z + dbcsr_scale_z + dbcsr_set_z + dbcsr_add_z + dbcsr_add_on_diag_z + dbcsr_set_diag_z + dbcsr_get_diag_z + dbcsr_reserve_block2d_c dbcsr_iterator_next_2d_block_c dbcsr_iterator_next_2d_block_notrans_c dbcsr_iterator_next_1d_block_c dbcsr_iterator_next_1d_block_notrans_c - dbcsr_put_block2d_c - dbcsr_put_block_c - dbcsr_get_2d_block_p_c + dbcsr_put_block2d_c + dbcsr_put_block_c + dbcsr_get_2d_block_p_c dbcsr_get_2d_block_notrans_p_c - dbcsr_get_block_p_c + dbcsr_get_block_p_c dbcsr_get_block_notrans_p_c - dbcsr_trace_c - dbcsr_dot_c - dbcsr_multiply_c - dbcsr_scale_by_vector_c - dbcsr_scale_c - dbcsr_set_c - dbcsr_add_c - dbcsr_add_on_diag_c - dbcsr_set_diag_c - dbcsr_get_diag_c + dbcsr_trace_c + dbcsr_dot_c + dbcsr_multiply_c + dbcsr_scale_by_vector_c + dbcsr_scale_c + dbcsr_set_c + dbcsr_add_c + dbcsr_add_on_diag_c + dbcsr_set_diag_c + dbcsr_get_diag_c
    @@ -382,30 +382,30 @@

    Uses

    @@ -430,7 +430,7 @@

    Variables

    @@ -482,7 +482,7 @@

    Arguments

    @@ -497,7 +497,7 @@

    Arguments

    @@ -512,7 +512,7 @@

    Arguments

    @@ -527,7 +527,7 @@

    Arguments

    @@ -542,7 +542,7 @@

    Arguments

    @@ -557,7 +557,7 @@

    Arguments

    @@ -572,7 +572,7 @@

    Arguments

    @@ -587,7 +587,7 @@

    Arguments

    @@ -602,7 +602,7 @@

    Arguments

    @@ -617,7 +617,7 @@

    Arguments

    @@ -632,7 +632,7 @@

    Arguments

    @@ -686,7 +686,7 @@

    Arguments

    @@ -701,7 +701,7 @@

    Arguments

    @@ -716,7 +716,7 @@

    Arguments

    @@ -731,7 +731,7 @@

    Arguments

    @@ -746,7 +746,7 @@

    Arguments

    @@ -761,7 +761,7 @@

    Arguments

    @@ -776,7 +776,7 @@

    Arguments

    @@ -791,7 +791,7 @@

    Arguments

    @@ -806,7 +806,7 @@

    Arguments

    @@ -821,7 +821,7 @@

    Arguments

    @@ -836,7 +836,7 @@

    Arguments

    @@ -874,14 +874,14 @@

    Arguments

    - -

    public interface dbcsr_trace + +

    public interface dbcsr_trace

    • - private subroutine dbcsr_trace_d(matrix_a, trace) + private subroutine dbcsr_trace_d(matrix_a, trace)

      @@ -900,7 +900,7 @@

      Arguments

    @@ -915,7 +915,7 @@

    Arguments

    @@ -935,7 +935,7 @@

    Arguments

  • - private subroutine dbcsr_trace_s(matrix_a, trace) + private subroutine dbcsr_trace_s(matrix_a, trace)

    @@ -954,7 +954,7 @@

    Arguments

    • @@ -969,7 +969,7 @@

    Arguments

    @@ -989,7 +989,7 @@

    Arguments

  • - private subroutine dbcsr_trace_z(matrix_a, trace) + private subroutine dbcsr_trace_z(matrix_a, trace)

    @@ -1008,7 +1008,7 @@

    Arguments

    • @@ -1023,7 +1023,7 @@

    Arguments

    @@ -1043,7 +1043,7 @@

    Arguments

  • - private subroutine dbcsr_trace_c(matrix_a, trace) + private subroutine dbcsr_trace_c(matrix_a, trace)

    @@ -1062,7 +1062,7 @@

    Arguments

    • @@ -1077,7 +1077,7 @@

    Arguments

    @@ -1100,14 +1100,14 @@

    Arguments

    - -

    public interface dbcsr_dot + +

    public interface dbcsr_dot

    • - private subroutine dbcsr_dot_d(matrix_a, matrix_b, result) + private subroutine dbcsr_dot_d(matrix_a, matrix_b, result)

      @@ -1126,7 +1126,7 @@

      Arguments

    @@ -1141,7 +1141,7 @@

    Arguments

    @@ -1176,7 +1176,7 @@

    Arguments

  • - private subroutine dbcsr_dot_s(matrix_a, matrix_b, result) + private subroutine dbcsr_dot_s(matrix_a, matrix_b, result)

    @@ -1195,7 +1195,7 @@

    Arguments

    • @@ -1210,7 +1210,7 @@

    Arguments

    @@ -1245,7 +1245,7 @@

    Arguments

  • - private subroutine dbcsr_dot_z(matrix_a, matrix_b, result) + private subroutine dbcsr_dot_z(matrix_a, matrix_b, result)

    @@ -1264,7 +1264,7 @@

    Arguments

    • @@ -1279,7 +1279,7 @@

    Arguments

    @@ -1314,7 +1314,7 @@

    Arguments

  • - private subroutine dbcsr_dot_c(matrix_a, matrix_b, result) + private subroutine dbcsr_dot_c(matrix_a, matrix_b, result)

    @@ -1333,7 +1333,7 @@

    Arguments

    • @@ -1348,7 +1348,7 @@

    Arguments

    @@ -1386,14 +1386,14 @@

    Arguments

    - -

    public interface dbcsr_set + +

    public interface dbcsr_set

    • - private subroutine dbcsr_set_d(matrix, alpha) + private subroutine dbcsr_set_d(matrix, alpha)

      @@ -1412,7 +1412,7 @@

      Arguments

    @@ -1427,7 +1427,7 @@

    Arguments

    @@ -1447,7 +1447,7 @@

    Arguments

  • - private subroutine dbcsr_set_s(matrix, alpha) + private subroutine dbcsr_set_s(matrix, alpha)

    @@ -1466,7 +1466,7 @@

    Arguments

    • @@ -1481,7 +1481,7 @@

    Arguments

    @@ -1501,7 +1501,7 @@

    Arguments

  • - private subroutine dbcsr_set_c(matrix, alpha) + private subroutine dbcsr_set_c(matrix, alpha)

    @@ -1520,7 +1520,7 @@

    Arguments

    • @@ -1535,7 +1535,7 @@

    Arguments

    @@ -1555,7 +1555,7 @@

    Arguments

  • - private subroutine dbcsr_set_z(matrix, alpha) + private subroutine dbcsr_set_z(matrix, alpha)

    @@ -1574,7 +1574,7 @@

    Arguments

    • @@ -1589,7 +1589,7 @@

    Arguments

    @@ -1612,14 +1612,14 @@

    Arguments

    - -

    public interface dbcsr_add + +

    public interface dbcsr_add

    • - private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar) + private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)

      @@ -1638,7 +1638,7 @@

      Arguments

    @@ -1653,7 +1653,7 @@

    Arguments

    @@ -1668,7 +1668,7 @@

    Arguments

    @@ -1683,7 +1683,7 @@

    Arguments

    @@ -1703,7 +1703,7 @@

    Arguments

  • - private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar) + private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -1722,7 +1722,7 @@

    Arguments

    • @@ -1737,7 +1737,7 @@

    Arguments

    @@ -1752,7 +1752,7 @@

    Arguments

    @@ -1767,7 +1767,7 @@

    Arguments

    @@ -1787,7 +1787,7 @@

    Arguments

  • - private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar) + private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -1806,7 +1806,7 @@

    Arguments

    • @@ -1821,7 +1821,7 @@

    Arguments

    @@ -1836,7 +1836,7 @@

    Arguments

    @@ -1851,7 +1851,7 @@

    Arguments

    @@ -1871,7 +1871,7 @@

    Arguments

  • - private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar) + private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -1890,7 +1890,7 @@

    Arguments

    • @@ -1905,7 +1905,7 @@

    Arguments

    @@ -1920,7 +1920,7 @@

    Arguments

    @@ -1935,7 +1935,7 @@

    Arguments

    @@ -1958,14 +1958,14 @@

    Arguments

    - -

    public interface dbcsr_add_on_diag + +

    public interface dbcsr_add_on_diag

    @@ -1999,7 +1999,7 @@

    Arguments

    @@ -2019,7 +2019,7 @@

    Arguments

  • - private subroutine dbcsr_add_on_diag_s(matrix, alpha_scalar) + private subroutine dbcsr_add_on_diag_s(matrix, alpha_scalar)

    @@ -2038,7 +2038,7 @@

    Arguments

    • @@ -2053,7 +2053,7 @@

    Arguments

    @@ -2073,7 +2073,7 @@

    Arguments

  • - private subroutine dbcsr_add_on_diag_c(matrix, alpha_scalar) + private subroutine dbcsr_add_on_diag_c(matrix, alpha_scalar)

    @@ -2092,7 +2092,7 @@

    Arguments

    • @@ -2107,7 +2107,7 @@

    Arguments

    @@ -2127,7 +2127,7 @@

    Arguments

  • - private subroutine dbcsr_add_on_diag_z(matrix, alpha_scalar) + private subroutine dbcsr_add_on_diag_z(matrix, alpha_scalar)

    @@ -2146,7 +2146,7 @@

    Arguments

    • @@ -2161,7 +2161,7 @@

    Arguments

    @@ -2184,14 +2184,14 @@

    Arguments

    - -

    public interface dbcsr_get_diag + +

    public interface dbcsr_get_diag

    @@ -2225,7 +2225,7 @@

    Arguments

    @@ -2245,7 +2245,7 @@

    Arguments

  • - private subroutine dbcsr_get_diag_s(matrix, diag) + private subroutine dbcsr_get_diag_s(matrix, diag)

    @@ -2264,7 +2264,7 @@

    Arguments

    • @@ -2279,7 +2279,7 @@

    Arguments

    @@ -2299,7 +2299,7 @@

    Arguments

  • - private subroutine dbcsr_get_diag_c(matrix, diag) + private subroutine dbcsr_get_diag_c(matrix, diag)

    @@ -2318,7 +2318,7 @@

    Arguments

    • @@ -2333,7 +2333,7 @@

    Arguments

    @@ -2353,7 +2353,7 @@

    Arguments

  • - private subroutine dbcsr_get_diag_z(matrix, diag) + private subroutine dbcsr_get_diag_z(matrix, diag)

    @@ -2372,7 +2372,7 @@

    Arguments

    • @@ -2387,7 +2387,7 @@

    Arguments

    @@ -2410,14 +2410,14 @@

    Arguments

    - -

    public interface dbcsr_set_diag + +

    public interface dbcsr_set_diag

    @@ -2451,7 +2451,7 @@

    Arguments

    @@ -2471,7 +2471,7 @@

    Arguments

  • - private subroutine dbcsr_set_diag_s(matrix, diag) + private subroutine dbcsr_set_diag_s(matrix, diag)

    @@ -2490,7 +2490,7 @@

    Arguments

    • @@ -2505,7 +2505,7 @@

    Arguments

    @@ -2525,7 +2525,7 @@

    Arguments

  • - private subroutine dbcsr_set_diag_c(matrix, diag) + private subroutine dbcsr_set_diag_c(matrix, diag)

    @@ -2544,7 +2544,7 @@

    Arguments

    • @@ -2559,7 +2559,7 @@

    Arguments

    @@ -2579,7 +2579,7 @@

    Arguments

  • - private subroutine dbcsr_set_diag_z(matrix, diag) + private subroutine dbcsr_set_diag_z(matrix, diag)

    @@ -2598,7 +2598,7 @@

    Arguments

    • @@ -2613,7 +2613,7 @@

    Arguments

    @@ -2636,14 +2636,14 @@

    Arguments

    - -

    public interface dbcsr_scale + +

    public interface dbcsr_scale

    • - private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column) + private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)

      @@ -2662,7 +2662,7 @@

      Arguments

    @@ -2677,7 +2677,7 @@

    Arguments

    @@ -2692,7 +2692,7 @@

    Arguments

    @@ -2712,7 +2712,7 @@

    Arguments

  • - private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column) + private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column)

    @@ -2731,7 +2731,7 @@

    Arguments

    • @@ -2746,7 +2746,7 @@

    Arguments

    @@ -2761,7 +2761,7 @@

    Arguments

    @@ -2781,7 +2781,7 @@

    Arguments

  • - private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column) + private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column)

    @@ -2800,7 +2800,7 @@

    Arguments

    • @@ -2815,7 +2815,7 @@

    Arguments

    @@ -2830,7 +2830,7 @@

    Arguments

    @@ -2850,7 +2850,7 @@

    Arguments

  • - private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column) + private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column)

    @@ -2869,7 +2869,7 @@

    Arguments

    • @@ -2884,7 +2884,7 @@

    Arguments

    @@ -2899,7 +2899,7 @@

    Arguments

    @@ -2922,14 +2922,14 @@

    Arguments

    - -

    public interface dbcsr_scale_by_vector + +

    public interface dbcsr_scale_by_vector

    @@ -2963,7 +2963,7 @@

    Arguments

    @@ -2978,7 +2978,7 @@

    Arguments

    @@ -2998,7 +2998,7 @@

    Arguments

  • - private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side) + private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side)

    @@ -3017,7 +3017,7 @@

    Arguments

    • @@ -3032,7 +3032,7 @@

    Arguments

    @@ -3047,7 +3047,7 @@

    Arguments

    @@ -3067,7 +3067,7 @@

    Arguments

  • - private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side) + private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side)

    @@ -3086,7 +3086,7 @@

    Arguments

    • @@ -3101,7 +3101,7 @@

    Arguments

    @@ -3116,7 +3116,7 @@

    Arguments

    @@ -3136,7 +3136,7 @@

    Arguments

  • - private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side) + private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side)

    @@ -3155,7 +3155,7 @@

    Arguments

    • @@ -3170,7 +3170,7 @@

    Arguments

    @@ -3185,7 +3185,7 @@

    Arguments

    @@ -3208,14 +3208,14 @@

    Arguments

    - -

    public interface dbcsr_multiply + +

    public interface dbcsr_multiply

    • - private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) + private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

      @@ -3234,7 +3234,7 @@

      Arguments

    @@ -3249,7 +3249,7 @@

    Arguments

    @@ -3264,7 +3264,7 @@

    Arguments

    @@ -3279,7 +3279,7 @@

    Arguments

    @@ -3294,7 +3294,7 @@

    Arguments

    @@ -3309,7 +3309,7 @@

    Arguments

    @@ -3324,7 +3324,7 @@

    Arguments

    @@ -3339,7 +3339,7 @@

    Arguments

    @@ -3354,7 +3354,7 @@

    Arguments

    @@ -3369,7 +3369,7 @@

    Arguments

    @@ -3384,7 +3384,7 @@

    Arguments

    @@ -3399,7 +3399,7 @@

    Arguments

    @@ -3414,7 +3414,7 @@

    Arguments

    @@ -3429,7 +3429,7 @@

    Arguments

    @@ -3444,7 +3444,7 @@

    Arguments

    @@ -3459,7 +3459,7 @@

    Arguments

    @@ -3479,7 +3479,7 @@

    Arguments

  • - private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) + private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -3498,7 +3498,7 @@

    Arguments

    • @@ -3513,7 +3513,7 @@

    Arguments

    @@ -3528,7 +3528,7 @@

    Arguments

    @@ -3543,7 +3543,7 @@

    Arguments

    @@ -3558,7 +3558,7 @@

    Arguments

    @@ -3573,7 +3573,7 @@

    Arguments

    @@ -3588,7 +3588,7 @@

    Arguments

    @@ -3603,7 +3603,7 @@

    Arguments

    @@ -3618,7 +3618,7 @@

    Arguments

    @@ -3633,7 +3633,7 @@

    Arguments

    @@ -3648,7 +3648,7 @@

    Arguments

    @@ -3663,7 +3663,7 @@

    Arguments

    @@ -3678,7 +3678,7 @@

    Arguments

    @@ -3693,7 +3693,7 @@

    Arguments

    @@ -3708,7 +3708,7 @@

    Arguments

    @@ -3723,7 +3723,7 @@

    Arguments

    @@ -3743,7 +3743,7 @@

    Arguments

  • - private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) + private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -3762,7 +3762,7 @@

    Arguments

    • @@ -3777,7 +3777,7 @@

    Arguments

    @@ -3792,7 +3792,7 @@

    Arguments

    @@ -3807,7 +3807,7 @@

    Arguments

    @@ -3822,7 +3822,7 @@

    Arguments

    @@ -3837,7 +3837,7 @@

    Arguments

    @@ -3852,7 +3852,7 @@

    Arguments

    @@ -3867,7 +3867,7 @@

    Arguments

    @@ -3882,7 +3882,7 @@

    Arguments

    @@ -3897,7 +3897,7 @@

    Arguments

    @@ -3912,7 +3912,7 @@

    Arguments

    @@ -3927,7 +3927,7 @@

    Arguments

    @@ -3942,7 +3942,7 @@

    Arguments

    @@ -3957,7 +3957,7 @@

    Arguments

    @@ -3972,7 +3972,7 @@

    Arguments

    @@ -3987,7 +3987,7 @@

    Arguments

    @@ -4007,7 +4007,7 @@

    Arguments

  • - private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) + private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -4026,7 +4026,7 @@

    Arguments

    • @@ -4041,7 +4041,7 @@

    Arguments

    @@ -4056,7 +4056,7 @@

    Arguments

    @@ -4071,7 +4071,7 @@

    Arguments

    @@ -4086,7 +4086,7 @@

    Arguments

    @@ -4101,7 +4101,7 @@

    Arguments

    @@ -4116,7 +4116,7 @@

    Arguments

    @@ -4131,7 +4131,7 @@

    Arguments

    @@ -4146,7 +4146,7 @@

    Arguments

    @@ -4161,7 +4161,7 @@

    Arguments

    @@ -4176,7 +4176,7 @@

    Arguments

    @@ -4191,7 +4191,7 @@

    Arguments

    @@ -4206,7 +4206,7 @@

    Arguments

    @@ -4221,7 +4221,7 @@

    Arguments

    @@ -4236,7 +4236,7 @@

    Arguments

    @@ -4251,7 +4251,7 @@

    Arguments

    @@ -4274,14 +4274,14 @@

    Arguments

    - -

    public interface dbcsr_get_block_p + +

    public interface dbcsr_get_block_p

    • - private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

      @@ -4300,7 +4300,7 @@

      Arguments

    @@ -4315,7 +4315,7 @@

    Arguments

    @@ -4330,7 +4330,7 @@

    Arguments

    @@ -4345,7 +4345,7 @@

    Arguments

    @@ -4360,7 +4360,7 @@

    Arguments

    @@ -4375,7 +4375,7 @@

    Arguments

    @@ -4390,7 +4390,7 @@

    Arguments

    @@ -4405,7 +4405,7 @@

    Arguments

    @@ -4425,7 +4425,7 @@

    Arguments

  • - private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -4444,7 +4444,7 @@

    Arguments

    • @@ -4459,7 +4459,7 @@

    Arguments

    @@ -4474,7 +4474,7 @@

    Arguments

    @@ -4489,7 +4489,7 @@

    Arguments

    @@ -4504,7 +4504,7 @@

    Arguments

    @@ -4519,7 +4519,7 @@

    Arguments

    @@ -4534,7 +4534,7 @@

    Arguments

    @@ -4549,7 +4549,7 @@

    Arguments

    @@ -4569,7 +4569,7 @@

    Arguments

  • - private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -4588,7 +4588,7 @@

    Arguments

    • @@ -4603,7 +4603,7 @@

    Arguments

    @@ -4618,7 +4618,7 @@

    Arguments

    @@ -4633,7 +4633,7 @@

    Arguments

    @@ -4648,7 +4648,7 @@

    Arguments

    @@ -4663,7 +4663,7 @@

    Arguments

    @@ -4678,7 +4678,7 @@

    Arguments

    @@ -4693,7 +4693,7 @@

    Arguments

    @@ -4713,7 +4713,7 @@

    Arguments

  • - private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -4732,7 +4732,7 @@

    Arguments

    • @@ -4747,7 +4747,7 @@

    Arguments

    @@ -4762,7 +4762,7 @@

    Arguments

    @@ -4777,7 +4777,7 @@

    Arguments

    @@ -4792,7 +4792,7 @@

    Arguments

    @@ -4807,7 +4807,7 @@

    Arguments

    @@ -4822,7 +4822,7 @@

    Arguments

    @@ -4837,7 +4837,7 @@

    Arguments

    @@ -4857,7 +4857,7 @@

    Arguments

  • - private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -4876,7 +4876,7 @@

    Arguments

    • @@ -4891,7 +4891,7 @@

    Arguments

    @@ -4906,7 +4906,7 @@

    Arguments

    @@ -4921,7 +4921,7 @@

    Arguments

    @@ -4936,7 +4936,7 @@

    Arguments

    @@ -4951,7 +4951,7 @@

    Arguments

    @@ -4966,7 +4966,7 @@

    Arguments

    @@ -4981,7 +4981,7 @@

    Arguments

    @@ -5001,7 +5001,7 @@

    Arguments

  • - private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -5020,7 +5020,7 @@

    Arguments

    • @@ -5035,7 +5035,7 @@

    Arguments

    @@ -5050,7 +5050,7 @@

    Arguments

    @@ -5065,7 +5065,7 @@

    Arguments

    @@ -5080,7 +5080,7 @@

    Arguments

    @@ -5095,7 +5095,7 @@

    Arguments

    @@ -5110,7 +5110,7 @@

    Arguments

    @@ -5125,7 +5125,7 @@

    Arguments

    @@ -5145,7 +5145,7 @@

    Arguments

  • - private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -5164,7 +5164,7 @@

    Arguments

    • @@ -5179,7 +5179,7 @@

    Arguments

    @@ -5194,7 +5194,7 @@

    Arguments

    @@ -5209,7 +5209,7 @@

    Arguments

    @@ -5224,7 +5224,7 @@

    Arguments

    @@ -5239,7 +5239,7 @@

    Arguments

    @@ -5254,7 +5254,7 @@

    Arguments

    @@ -5269,7 +5269,7 @@

    Arguments

    @@ -5289,7 +5289,7 @@

    Arguments

  • - private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -5308,7 +5308,7 @@

    Arguments

    • @@ -5323,7 +5323,7 @@

    Arguments

    @@ -5338,7 +5338,7 @@

    Arguments

    @@ -5353,7 +5353,7 @@

    Arguments

    @@ -5368,7 +5368,7 @@

    Arguments

    @@ -5383,7 +5383,7 @@

    Arguments

    @@ -5398,7 +5398,7 @@

    Arguments

    @@ -5413,7 +5413,7 @@

    Arguments

    @@ -5452,7 +5452,7 @@

    Arguments

    @@ -5467,7 +5467,7 @@

    Arguments

    @@ -5482,7 +5482,7 @@

    Arguments

    @@ -5497,7 +5497,7 @@

    Arguments

    @@ -5512,7 +5512,7 @@

    Arguments

    @@ -5527,7 +5527,7 @@

    Arguments

    @@ -5542,7 +5542,7 @@

    Arguments

    @@ -5581,7 +5581,7 @@

    Arguments

    @@ -5596,7 +5596,7 @@

    Arguments

    @@ -5611,7 +5611,7 @@

    Arguments

    @@ -5626,7 +5626,7 @@

    Arguments

    @@ -5641,7 +5641,7 @@

    Arguments

    @@ -5656,7 +5656,7 @@

    Arguments

    @@ -5671,7 +5671,7 @@

    Arguments

    @@ -5710,7 +5710,7 @@

    Arguments

    @@ -5725,7 +5725,7 @@

    Arguments

    @@ -5740,7 +5740,7 @@

    Arguments

    @@ -5755,7 +5755,7 @@

    Arguments

    @@ -5770,7 +5770,7 @@

    Arguments

    @@ -5785,7 +5785,7 @@

    Arguments

    @@ -5800,7 +5800,7 @@

    Arguments

    @@ -5839,7 +5839,7 @@

    Arguments

    @@ -5854,7 +5854,7 @@

    Arguments

    @@ -5869,7 +5869,7 @@

    Arguments

    @@ -5884,7 +5884,7 @@

    Arguments

    @@ -5899,7 +5899,7 @@

    Arguments

    @@ -5914,7 +5914,7 @@

    Arguments

    @@ -5929,7 +5929,7 @@

    Arguments

    @@ -5968,7 +5968,7 @@

    Arguments

    @@ -5983,7 +5983,7 @@

    Arguments

    @@ -5998,7 +5998,7 @@

    Arguments

    @@ -6013,7 +6013,7 @@

    Arguments

    @@ -6028,7 +6028,7 @@

    Arguments

    @@ -6043,7 +6043,7 @@

    Arguments

    @@ -6058,7 +6058,7 @@

    Arguments

    @@ -6097,7 +6097,7 @@

    Arguments

    @@ -6112,7 +6112,7 @@

    Arguments

    @@ -6127,7 +6127,7 @@

    Arguments

    @@ -6142,7 +6142,7 @@

    Arguments

    @@ -6157,7 +6157,7 @@

    Arguments

    @@ -6172,7 +6172,7 @@

    Arguments

    @@ -6187,7 +6187,7 @@

    Arguments

    @@ -6226,7 +6226,7 @@

    Arguments

    @@ -6241,7 +6241,7 @@

    Arguments

    @@ -6256,7 +6256,7 @@

    Arguments

    @@ -6271,7 +6271,7 @@

    Arguments

    @@ -6286,7 +6286,7 @@

    Arguments

    @@ -6301,7 +6301,7 @@

    Arguments

    @@ -6316,7 +6316,7 @@

    Arguments

    @@ -6355,7 +6355,7 @@

    Arguments

    @@ -6370,7 +6370,7 @@

    Arguments

    @@ -6385,7 +6385,7 @@

    Arguments

    @@ -6400,7 +6400,7 @@

    Arguments

    @@ -6415,7 +6415,7 @@

    Arguments

    @@ -6430,7 +6430,7 @@

    Arguments

    @@ -6445,7 +6445,7 @@

    Arguments

    @@ -6468,14 +6468,14 @@

    Arguments

    - -

    public interface dbcsr_put_block + +

    public interface dbcsr_put_block

    • - private subroutine dbcsr_put_block_d(matrix, row, col, block, summation, scale) + private subroutine dbcsr_put_block_d(matrix, row, col, block, summation, scale)

      @@ -6494,7 +6494,7 @@

      Arguments

    @@ -6509,7 +6509,7 @@

    Arguments

    @@ -6524,7 +6524,7 @@

    Arguments

    @@ -6539,7 +6539,7 @@

    Arguments

    @@ -6554,7 +6554,7 @@

    Arguments

    @@ -6569,7 +6569,7 @@

    Arguments

    @@ -6589,7 +6589,7 @@

    Arguments

  • - private subroutine dbcsr_put_block_s(matrix, row, col, block, summation, scale) + private subroutine dbcsr_put_block_s(matrix, row, col, block, summation, scale)

    @@ -6608,7 +6608,7 @@

    Arguments

    • @@ -6623,7 +6623,7 @@

    Arguments

    @@ -6638,7 +6638,7 @@

    Arguments

    @@ -6653,7 +6653,7 @@

    Arguments

    @@ -6668,7 +6668,7 @@

    Arguments

    @@ -6683,7 +6683,7 @@

    Arguments

    @@ -6703,7 +6703,7 @@

    Arguments

  • - private subroutine dbcsr_put_block_z(matrix, row, col, block, summation, scale) + private subroutine dbcsr_put_block_z(matrix, row, col, block, summation, scale)

    @@ -6722,7 +6722,7 @@

    Arguments

    • @@ -6737,7 +6737,7 @@

    Arguments

    @@ -6752,7 +6752,7 @@

    Arguments

    @@ -6767,7 +6767,7 @@

    Arguments

    @@ -6782,7 +6782,7 @@

    Arguments

    @@ -6797,7 +6797,7 @@

    Arguments

    @@ -6817,7 +6817,7 @@

    Arguments

  • - private subroutine dbcsr_put_block_c(matrix, row, col, block, summation, scale) + private subroutine dbcsr_put_block_c(matrix, row, col, block, summation, scale)

    @@ -6836,7 +6836,7 @@

    Arguments

    • @@ -6851,7 +6851,7 @@

    Arguments

    @@ -6866,7 +6866,7 @@

    Arguments

    @@ -6881,7 +6881,7 @@

    Arguments

    @@ -6896,7 +6896,7 @@

    Arguments

    @@ -6911,7 +6911,7 @@

    Arguments

    @@ -6931,7 +6931,7 @@

    Arguments

  • - private subroutine dbcsr_put_block2d_d(matrix, row, col, block, summation, scale) + private subroutine dbcsr_put_block2d_d(matrix, row, col, block, summation, scale)

    @@ -6950,7 +6950,7 @@

    Arguments

    • @@ -6965,7 +6965,7 @@

    Arguments

    @@ -6980,7 +6980,7 @@

    Arguments

    @@ -6995,7 +6995,7 @@

    Arguments

    @@ -7010,7 +7010,7 @@

    Arguments

    @@ -7025,7 +7025,7 @@

    Arguments

    @@ -7045,7 +7045,7 @@

    Arguments

  • - private subroutine dbcsr_put_block2d_s(matrix, row, col, block, summation, scale) + private subroutine dbcsr_put_block2d_s(matrix, row, col, block, summation, scale)

    @@ -7064,7 +7064,7 @@

    Arguments

    • @@ -7079,7 +7079,7 @@

    Arguments

    @@ -7094,7 +7094,7 @@

    Arguments

    @@ -7109,7 +7109,7 @@

    Arguments

    @@ -7124,7 +7124,7 @@

    Arguments

    @@ -7139,7 +7139,7 @@

    Arguments

    @@ -7159,7 +7159,7 @@

    Arguments

  • - private subroutine dbcsr_put_block2d_z(matrix, row, col, block, summation, scale) + private subroutine dbcsr_put_block2d_z(matrix, row, col, block, summation, scale)

    @@ -7178,7 +7178,7 @@

    Arguments

    • @@ -7193,7 +7193,7 @@

    Arguments

    @@ -7208,7 +7208,7 @@

    Arguments

    @@ -7223,7 +7223,7 @@

    Arguments

    @@ -7238,7 +7238,7 @@

    Arguments

    @@ -7253,7 +7253,7 @@

    Arguments

    @@ -7273,7 +7273,7 @@

    Arguments

  • - private subroutine dbcsr_put_block2d_c(matrix, row, col, block, summation, scale) + private subroutine dbcsr_put_block2d_c(matrix, row, col, block, summation, scale)

    @@ -7292,7 +7292,7 @@

    Arguments

    • @@ -7307,7 +7307,7 @@

    Arguments

    @@ -7322,7 +7322,7 @@

    Arguments

    @@ -7337,7 +7337,7 @@

    Arguments

    @@ -7352,7 +7352,7 @@

    Arguments

    @@ -7367,7 +7367,7 @@

    Arguments

    @@ -7416,7 +7416,7 @@

    Arguments

    @@ -7431,7 +7431,7 @@

    Arguments

    @@ -7448,7 +7448,7 @@

    Arguments

    @@ -7465,7 +7465,7 @@

    Arguments

    @@ -7482,7 +7482,7 @@

    Arguments

    @@ -7521,7 +7521,7 @@

    Arguments

    @@ -7536,7 +7536,7 @@

    Arguments

    @@ -7551,7 +7551,7 @@

    Arguments

    @@ -7566,7 +7566,7 @@

    Arguments

    @@ -7581,7 +7581,7 @@

    Arguments

    @@ -7596,7 +7596,7 @@

    Arguments

    @@ -7611,7 +7611,7 @@

    Arguments

    @@ -7626,7 +7626,7 @@

    Arguments

    @@ -7641,7 +7641,7 @@

    Arguments

    @@ -7656,7 +7656,7 @@

    Arguments

    @@ -7695,7 +7695,7 @@

    Arguments

    @@ -7710,7 +7710,7 @@

    Arguments

    @@ -7725,7 +7725,7 @@

    Arguments

    @@ -7740,7 +7740,7 @@

    Arguments

    @@ -7755,7 +7755,7 @@

    Arguments

    @@ -7770,7 +7770,7 @@

    Arguments

    @@ -7785,7 +7785,7 @@

    Arguments

    @@ -7800,7 +7800,7 @@

    Arguments

    @@ -7815,7 +7815,7 @@

    Arguments

    @@ -7830,7 +7830,7 @@

    Arguments

    @@ -7869,7 +7869,7 @@

    Arguments

    @@ -7884,7 +7884,7 @@

    Arguments

    @@ -7899,7 +7899,7 @@

    Arguments

    @@ -7914,7 +7914,7 @@

    Arguments

    @@ -7929,7 +7929,7 @@

    Arguments

    @@ -7944,7 +7944,7 @@

    Arguments

    @@ -7959,7 +7959,7 @@

    Arguments

    @@ -7974,7 +7974,7 @@

    Arguments

    @@ -7989,7 +7989,7 @@

    Arguments

    @@ -8004,7 +8004,7 @@

    Arguments

    @@ -8043,7 +8043,7 @@

    Arguments

    @@ -8058,7 +8058,7 @@

    Arguments

    @@ -8073,7 +8073,7 @@

    Arguments

    @@ -8088,7 +8088,7 @@

    Arguments

    @@ -8103,7 +8103,7 @@

    Arguments

    @@ -8118,7 +8118,7 @@

    Arguments

    @@ -8133,7 +8133,7 @@

    Arguments

    @@ -8148,7 +8148,7 @@

    Arguments

    @@ -8163,7 +8163,7 @@

    Arguments

    @@ -8178,7 +8178,7 @@

    Arguments

    @@ -8217,7 +8217,7 @@

    Arguments

    @@ -8232,7 +8232,7 @@

    Arguments

    @@ -8247,7 +8247,7 @@

    Arguments

    @@ -8262,7 +8262,7 @@

    Arguments

    @@ -8277,7 +8277,7 @@

    Arguments

    @@ -8292,7 +8292,7 @@

    Arguments

    @@ -8307,7 +8307,7 @@

    Arguments

    @@ -8322,7 +8322,7 @@

    Arguments

    @@ -8337,7 +8337,7 @@

    Arguments

    @@ -8352,7 +8352,7 @@

    Arguments

    @@ -8391,7 +8391,7 @@

    Arguments

    @@ -8406,7 +8406,7 @@

    Arguments

    @@ -8421,7 +8421,7 @@

    Arguments

    @@ -8436,7 +8436,7 @@

    Arguments

    @@ -8451,7 +8451,7 @@

    Arguments

    @@ -8466,7 +8466,7 @@

    Arguments

    @@ -8481,7 +8481,7 @@

    Arguments

    @@ -8496,7 +8496,7 @@

    Arguments

    @@ -8511,7 +8511,7 @@

    Arguments

    @@ -8526,7 +8526,7 @@

    Arguments

    @@ -8565,7 +8565,7 @@

    Arguments

    @@ -8580,7 +8580,7 @@

    Arguments

    @@ -8595,7 +8595,7 @@

    Arguments

    @@ -8610,7 +8610,7 @@

    Arguments

    @@ -8625,7 +8625,7 @@

    Arguments

    @@ -8640,7 +8640,7 @@

    Arguments

    @@ -8655,7 +8655,7 @@

    Arguments

    @@ -8670,7 +8670,7 @@

    Arguments

    @@ -8685,7 +8685,7 @@

    Arguments

    @@ -8700,7 +8700,7 @@

    Arguments

    @@ -8739,7 +8739,7 @@

    Arguments

    @@ -8754,7 +8754,7 @@

    Arguments

    @@ -8769,7 +8769,7 @@

    Arguments

    @@ -8784,7 +8784,7 @@

    Arguments

    @@ -8799,7 +8799,7 @@

    Arguments

    @@ -8814,7 +8814,7 @@

    Arguments

    @@ -8829,7 +8829,7 @@

    Arguments

    @@ -8844,7 +8844,7 @@

    Arguments

    @@ -8859,7 +8859,7 @@

    Arguments

    @@ -8874,7 +8874,7 @@

    Arguments

    @@ -8913,7 +8913,7 @@

    Arguments

    @@ -8928,7 +8928,7 @@

    Arguments

    @@ -8943,7 +8943,7 @@

    Arguments

    @@ -8958,7 +8958,7 @@

    Arguments

    @@ -8973,7 +8973,7 @@

    Arguments

    @@ -8988,7 +8988,7 @@

    Arguments

    @@ -9003,7 +9003,7 @@

    Arguments

    @@ -9018,7 +9018,7 @@

    Arguments

    @@ -9033,7 +9033,7 @@

    Arguments

    @@ -9072,7 +9072,7 @@

    Arguments

    @@ -9087,7 +9087,7 @@

    Arguments

    @@ -9102,7 +9102,7 @@

    Arguments

    @@ -9117,7 +9117,7 @@

    Arguments

    @@ -9132,7 +9132,7 @@

    Arguments

    @@ -9147,7 +9147,7 @@

    Arguments

    @@ -9162,7 +9162,7 @@

    Arguments

    @@ -9177,7 +9177,7 @@

    Arguments

    @@ -9192,7 +9192,7 @@

    Arguments

    @@ -9231,7 +9231,7 @@

    Arguments

    @@ -9246,7 +9246,7 @@

    Arguments

    @@ -9261,7 +9261,7 @@

    Arguments

    @@ -9276,7 +9276,7 @@

    Arguments

    @@ -9291,7 +9291,7 @@

    Arguments

    @@ -9306,7 +9306,7 @@

    Arguments

    @@ -9321,7 +9321,7 @@

    Arguments

    @@ -9336,7 +9336,7 @@

    Arguments

    @@ -9351,7 +9351,7 @@

    Arguments

    @@ -9390,7 +9390,7 @@

    Arguments

    @@ -9405,7 +9405,7 @@

    Arguments

    @@ -9420,7 +9420,7 @@

    Arguments

    @@ -9435,7 +9435,7 @@

    Arguments

    @@ -9450,7 +9450,7 @@

    Arguments

    @@ -9465,7 +9465,7 @@

    Arguments

    @@ -9480,7 +9480,7 @@

    Arguments

    @@ -9495,7 +9495,7 @@

    Arguments

    @@ -9510,7 +9510,7 @@

    Arguments

    @@ -9549,7 +9549,7 @@

    Arguments

    @@ -9564,7 +9564,7 @@

    Arguments

    @@ -9579,7 +9579,7 @@

    Arguments

    @@ -9594,7 +9594,7 @@

    Arguments

    @@ -9609,7 +9609,7 @@

    Arguments

    @@ -9624,7 +9624,7 @@

    Arguments

    @@ -9639,7 +9639,7 @@

    Arguments

    @@ -9654,7 +9654,7 @@

    Arguments

    @@ -9669,7 +9669,7 @@

    Arguments

    @@ -9708,7 +9708,7 @@

    Arguments

    @@ -9723,7 +9723,7 @@

    Arguments

    @@ -9738,7 +9738,7 @@

    Arguments

    @@ -9753,7 +9753,7 @@

    Arguments

    @@ -9768,7 +9768,7 @@

    Arguments

    @@ -9783,7 +9783,7 @@

    Arguments

    @@ -9798,7 +9798,7 @@

    Arguments

    @@ -9813,7 +9813,7 @@

    Arguments

    @@ -9828,7 +9828,7 @@

    Arguments

    @@ -9867,7 +9867,7 @@

    Arguments

    @@ -9882,7 +9882,7 @@

    Arguments

    @@ -9897,7 +9897,7 @@

    Arguments

    @@ -9912,7 +9912,7 @@

    Arguments

    @@ -9927,7 +9927,7 @@

    Arguments

    @@ -9942,7 +9942,7 @@

    Arguments

    @@ -9957,7 +9957,7 @@

    Arguments

    @@ -9972,7 +9972,7 @@

    Arguments

    @@ -9987,7 +9987,7 @@

    Arguments

    @@ -10026,7 +10026,7 @@

    Arguments

    @@ -10041,7 +10041,7 @@

    Arguments

    @@ -10056,7 +10056,7 @@

    Arguments

    @@ -10071,7 +10071,7 @@

    Arguments

    @@ -10086,7 +10086,7 @@

    Arguments

    @@ -10101,7 +10101,7 @@

    Arguments

    @@ -10116,7 +10116,7 @@

    Arguments

    @@ -10131,7 +10131,7 @@

    Arguments

    @@ -10146,7 +10146,7 @@

    Arguments

    @@ -10169,14 +10169,14 @@

    Arguments

    - -

    public interface dbcsr_reserve_block2d + +

    public interface dbcsr_reserve_block2d

    @@ -10210,7 +10210,7 @@

    Arguments

    @@ -10225,7 +10225,7 @@

    Arguments

    @@ -10240,7 +10240,7 @@

    Arguments

    @@ -10255,7 +10255,7 @@

    Arguments

    @@ -10270,7 +10270,7 @@

    Arguments

    @@ -10290,7 +10290,7 @@

    Arguments

  • - private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed) + private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed)

    @@ -10309,7 +10309,7 @@

    Arguments

    • @@ -10324,7 +10324,7 @@

    Arguments

    @@ -10339,7 +10339,7 @@

    Arguments

    @@ -10354,7 +10354,7 @@

    Arguments

    @@ -10369,7 +10369,7 @@

    Arguments

    @@ -10384,7 +10384,7 @@

    Arguments

    @@ -10404,7 +10404,7 @@

    Arguments

  • - private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transposed, existed) + private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transposed, existed)

    @@ -10423,7 +10423,7 @@

    Arguments

    • @@ -10438,7 +10438,7 @@

    Arguments

    @@ -10453,7 +10453,7 @@

    Arguments

    @@ -10468,7 +10468,7 @@

    Arguments

    @@ -10483,7 +10483,7 @@

    Arguments

    @@ -10498,7 +10498,7 @@

    Arguments

    @@ -10518,7 +10518,7 @@

    Arguments

  • - private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transposed, existed) + private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transposed, existed)

    @@ -10537,7 +10537,7 @@

    Arguments

    • @@ -10552,7 +10552,7 @@

    Arguments

    @@ -10567,7 +10567,7 @@

    Arguments

    @@ -10582,7 +10582,7 @@

    Arguments

    @@ -10597,7 +10597,7 @@

    Arguments

    @@ -10612,7 +10612,7 @@

    Arguments

    @@ -10661,7 +10661,7 @@

    Arguments

    @@ -10751,7 +10751,7 @@

    Arguments

    @@ -10766,7 +10766,7 @@

    Arguments

    @@ -10806,7 +10806,7 @@

    Arguments

    @@ -10821,7 +10821,7 @@

    Arguments

    @@ -10870,7 +10870,7 @@

    Arguments

    @@ -10915,7 +10915,7 @@

    Arguments

    @@ -10930,7 +10930,7 @@

    Arguments

    @@ -10974,7 +10974,7 @@

    Arguments

    @@ -11019,7 +11019,7 @@

    Arguments

    @@ -11034,7 +11034,7 @@

    Arguments

    @@ -11078,7 +11078,7 @@

    Arguments

    @@ -11123,7 +11123,7 @@

    Arguments

    @@ -11138,7 +11138,7 @@

    Arguments

    @@ -11182,7 +11182,7 @@

    Arguments

    @@ -11227,7 +11227,7 @@

    Arguments

    @@ -11242,7 +11242,7 @@

    Arguments

    @@ -11296,7 +11296,7 @@

    Arguments

    @@ -11326,7 +11326,7 @@

    Arguments

    @@ -11341,7 +11341,7 @@

    Arguments

    @@ -11385,7 +11385,7 @@

    Arguments

    @@ -11415,7 +11415,7 @@

    Arguments

    @@ -11430,7 +11430,7 @@

    Arguments

    @@ -11474,7 +11474,7 @@

    Arguments

    @@ -11504,7 +11504,7 @@

    Arguments

    @@ -11519,7 +11519,7 @@

    Arguments

    @@ -11563,7 +11563,7 @@

    Arguments

    @@ -11593,7 +11593,7 @@

    Arguments

    @@ -11608,7 +11608,7 @@

    Arguments

    @@ -11643,7 +11643,7 @@

    public interface dbcsr_norm

  • - private subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar) + private subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar)

    @@ -11662,7 +11662,7 @@

    Arguments

    • @@ -11677,7 +11677,7 @@

    Arguments

    @@ -11692,7 +11692,7 @@

    Arguments

    @@ -11712,7 +11712,7 @@

    Arguments

  • - private subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector) + private subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)

    @@ -11731,7 +11731,7 @@

    Arguments

    • @@ -11746,7 +11746,7 @@

    Arguments

    @@ -11761,7 +11761,7 @@

    Arguments

    @@ -11862,7 +11862,7 @@

    Components

    @@ -11990,7 +11990,7 @@

    Components

    Functions

    -

    public function dbcsr_gershgorin_norm(matrix) result(norm) +

    public function dbcsr_gershgorin_norm(matrix) result(norm)

    @@ -12009,7 +12009,7 @@

    Arguments

    @@ -12035,7 +12035,7 @@

    -

    public function dbcsr_frobenius_norm(matrix, local) result(norm) +

    public function dbcsr_frobenius_norm(matrix, local) result(norm)

    @@ -12054,7 +12054,7 @@

    Arguments

    @@ -12095,7 +12095,7 @@

    -

    public function dbcsr_maxabs(matrix) result(norm) +

    public function dbcsr_maxabs(matrix) result(norm)

    @@ -12114,7 +12114,7 @@

    Arguments

    @@ -12140,7 +12140,7 @@

    -

    public pure function dbcsr_get_data_type(matrix) result(data_type) +

    public pure function dbcsr_get_data_type(matrix) result(data_type)

    @@ -12159,7 +12159,7 @@

    Arguments

    @@ -12185,7 +12185,7 @@

    -

    public pure function dbcsr_valid_index(matrix) result(valid_index) +

    public pure function dbcsr_valid_index(matrix) result(valid_index)

    @@ -12204,7 +12204,7 @@

    Arguments

    @@ -12230,7 +12230,7 @@

    -

    public pure function dbcsr_get_num_blocks(matrix) result(num_blocks) +

    public pure function dbcsr_get_num_blocks(matrix) result(num_blocks)

    @@ -12249,7 +12249,7 @@

    Arguments

    @@ -12275,7 +12275,7 @@

    -

    public function dbcsr_get_data_size(matrix) result(data_size) +

    public function dbcsr_get_data_size(matrix) result(data_size)

    @@ -12294,7 +12294,7 @@

    Arguments

    @@ -12320,7 +12320,7 @@

    -

    public pure function dbcsr_get_matrix_type(matrix) result(matrix_type) +

    public pure function dbcsr_get_matrix_type(matrix) result(matrix_type)

    @@ -12339,7 +12339,7 @@

    Arguments

    @@ -12365,7 +12365,7 @@

    -

    public function dbcsr_get_occupation(matrix) result(occupation) +

    public function dbcsr_get_occupation(matrix) result(occupation)

    @@ -12384,7 +12384,7 @@

    Arguments

    @@ -12410,7 +12410,7 @@

    -

    public function dbcsr_nblkrows_total(matrix) result(nblkrows_total) +

    public function dbcsr_nblkrows_total(matrix) result(nblkrows_total)

    @@ -12429,7 +12429,7 @@

    Arguments

    @@ -12455,7 +12455,7 @@

    -

    public function dbcsr_nblkcols_total(matrix) result(nblkcols_total) +

    public function dbcsr_nblkcols_total(matrix) result(nblkcols_total)

    @@ -12474,7 +12474,7 @@

    Arguments

    @@ -12500,7 +12500,7 @@

    -

    public function dbcsr_nblkrows_local(matrix) result(nblkrows_local) +

    public function dbcsr_nblkrows_local(matrix) result(nblkrows_local)

    @@ -12519,7 +12519,7 @@

    Arguments

    @@ -12545,7 +12545,7 @@

    -

    public function dbcsr_nblkcols_local(matrix) result(nblkcols_local) +

    public function dbcsr_nblkcols_local(matrix) result(nblkcols_local)

    @@ -12564,7 +12564,7 @@

    Arguments

    @@ -12590,7 +12590,7 @@

    -

    public function dbcsr_nfullrows_total(matrix) result(nfullrows_total) +

    public function dbcsr_nfullrows_total(matrix) result(nfullrows_total)

    @@ -12609,7 +12609,7 @@

    Arguments

    @@ -12635,7 +12635,7 @@

    -

    public function dbcsr_nfullcols_total(matrix) result(nfullcols_total) +

    public function dbcsr_nfullcols_total(matrix) result(nfullcols_total)

    @@ -12654,7 +12654,7 @@

    Arguments

    @@ -12699,7 +12699,7 @@

    Arguments

    @@ -12744,7 +12744,7 @@

    Arguments

    @@ -12774,7 +12774,7 @@

    Arguments

    @@ -12800,7 +12800,7 @@

    -

    public pure function dbcsr_has_symmetry(matrix) result(has_symmetry) +

    public pure function dbcsr_has_symmetry(matrix) result(has_symmetry)

    @@ -12819,7 +12819,7 @@

    Arguments

    @@ -12864,7 +12864,7 @@

    Arguments

    @@ -12909,7 +12909,7 @@

    Arguments

    @@ -12924,7 +12924,7 @@

    Arguments

    @@ -12969,7 +12969,7 @@

    Arguments

    @@ -12999,7 +12999,7 @@

    Arguments

    @@ -13014,7 +13014,7 @@

    Arguments

    @@ -13059,7 +13059,7 @@

    Arguments

    @@ -13104,7 +13104,7 @@

    Arguments

    @@ -13119,7 +13119,7 @@

    Arguments

    @@ -13164,7 +13164,7 @@

    Arguments

    @@ -13194,7 +13194,7 @@

    Arguments

    @@ -13209,7 +13209,7 @@

    Arguments

    @@ -13254,7 +13254,7 @@

    Arguments

    @@ -13299,7 +13299,7 @@

    Arguments

    @@ -13314,7 +13314,7 @@

    Arguments

    @@ -13359,7 +13359,7 @@

    Arguments

    @@ -13389,7 +13389,7 @@

    Arguments

    @@ -13404,7 +13404,7 @@

    Arguments

    @@ -13449,7 +13449,7 @@

    Arguments

    @@ -13494,7 +13494,7 @@

    Arguments

    @@ -13509,7 +13509,7 @@

    Arguments

    @@ -13554,7 +13554,7 @@

    Arguments

    @@ -13584,7 +13584,7 @@

    Arguments

    @@ -13599,7 +13599,7 @@

    Arguments

    @@ -13649,7 +13649,7 @@

    Arguments

    @@ -13670,7 +13670,7 @@

    Arguments

    -

    public subroutine dbcsr_setname(matrix, newname) +

    public subroutine dbcsr_setname(matrix, newname)

    @@ -13689,7 +13689,7 @@

    Arguments

    @@ -13704,7 +13704,7 @@

    Arguments

    @@ -13744,7 +13744,7 @@

    Arguments

    @@ -13759,7 +13759,7 @@

    Arguments

    @@ -13774,7 +13774,7 @@

    Arguments

    @@ -13789,7 +13789,7 @@

    Arguments

    @@ -13810,7 +13810,7 @@

    Arguments

    -

    public subroutine dbcsr_reserve_blocks(matrix, rows, cols, blk_pointers) +

    public subroutine dbcsr_reserve_blocks(matrix, rows, cols, blk_pointers)

    @@ -13829,7 +13829,7 @@

    Arguments

    @@ -13844,7 +13844,7 @@

    Arguments

    @@ -13859,7 +13859,7 @@

    Arguments

    @@ -13874,7 +13874,7 @@

    Arguments

    @@ -13895,7 +13895,7 @@

    Arguments

    -

    public subroutine dbcsr_reserve_all_blocks(matrix) +

    public subroutine dbcsr_reserve_all_blocks(matrix)

    @@ -13914,7 +13914,7 @@

    Arguments

    @@ -13935,7 +13935,7 @@

    Arguments

    -

    public subroutine dbcsr_reserve_diag_blocks(matrix) +

    public subroutine dbcsr_reserve_diag_blocks(matrix)

    @@ -13954,7 +13954,7 @@

    Arguments

    @@ -13994,7 +13994,7 @@

    Arguments

    @@ -14024,7 +14024,7 @@

    Arguments

    @@ -14039,7 +14039,7 @@

    Arguments

    @@ -14054,7 +14054,7 @@

    Arguments

    @@ -14069,7 +14069,7 @@

    Arguments

    @@ -14109,7 +14109,7 @@

    Arguments

    @@ -14160,7 +14160,7 @@

    Arguments

    -

    public subroutine dbcsr_init_random(matrix, keep_sparsity, mini_seed) +

    public subroutine dbcsr_init_random(matrix, keep_sparsity, mini_seed)

    @@ -14179,7 +14179,7 @@

    Arguments

    @@ -14194,7 +14194,7 @@

    Arguments

    @@ -14209,7 +14209,7 @@

    Arguments

    @@ -14249,7 +14249,7 @@

    Arguments

    @@ -14264,7 +14264,7 @@

    Arguments

    @@ -14279,7 +14279,7 @@

    Arguments

    @@ -14294,7 +14294,7 @@

    Arguments

    @@ -14334,7 +14334,7 @@

    Arguments

    @@ -14374,7 +14374,7 @@

    Arguments

    @@ -14389,7 +14389,7 @@

    Arguments

    @@ -14404,7 +14404,7 @@

    Arguments

    @@ -14419,7 +14419,7 @@

    Arguments

    @@ -14434,7 +14434,7 @@

    Arguments

    @@ -14449,7 +14449,7 @@

    Arguments

    @@ -14464,7 +14464,7 @@

    Arguments

    @@ -14504,7 +14504,7 @@

    Arguments

    @@ -14519,7 +14519,7 @@

    Arguments

    @@ -14536,7 +14536,7 @@

    Arguments

    @@ -14553,7 +14553,7 @@

    Arguments

    @@ -14570,7 +14570,7 @@

    Arguments

    @@ -14591,7 +14591,7 @@

    Arguments

    -

    public subroutine dbcsr_get_info(matrix, nblkrows_total, nblkcols_total, nfullrows_total, nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, my_prow, my_pcol, local_rows, local_cols, proc_row_dist, proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, matrix_type, data_type, group) +

    public subroutine dbcsr_get_info(matrix, nblkrows_total, nblkcols_total, nfullrows_total, nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, my_prow, my_pcol, local_rows, local_cols, proc_row_dist, proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, matrix_type, data_type, group)

    @@ -14610,7 +14610,7 @@

    Arguments

    @@ -14625,7 +14625,7 @@

    Arguments

    @@ -14640,7 +14640,7 @@

    Arguments

    @@ -14655,7 +14655,7 @@

    Arguments

    @@ -14670,7 +14670,7 @@

    Arguments

    @@ -14685,7 +14685,7 @@

    Arguments

    @@ -14700,7 +14700,7 @@

    Arguments

    @@ -14715,7 +14715,7 @@

    Arguments

    @@ -14730,7 +14730,7 @@

    Arguments

    @@ -14745,7 +14745,7 @@

    Arguments

    @@ -14760,7 +14760,7 @@

    Arguments

    @@ -14775,7 +14775,7 @@

    Arguments

    @@ -14790,7 +14790,7 @@

    Arguments

    @@ -14805,7 +14805,7 @@

    Arguments

    @@ -14820,7 +14820,7 @@

    Arguments

    @@ -14835,7 +14835,7 @@

    Arguments

    @@ -14850,7 +14850,7 @@

    Arguments

    @@ -14865,7 +14865,7 @@

    Arguments

    @@ -14880,7 +14880,7 @@

    Arguments

    @@ -14895,7 +14895,7 @@

    Arguments

    @@ -14910,7 +14910,7 @@

    Arguments

    @@ -14925,7 +14925,7 @@

    Arguments

    @@ -14940,7 +14940,7 @@

    Arguments

    @@ -14955,7 +14955,7 @@

    Arguments

    @@ -14976,7 +14976,7 @@

    Arguments

    -

    public subroutine dbcsr_distribution_get(dist, row_dist, col_dist, nrows, ncols, has_threads, group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, subgroups_defined, prow_group, pcol_group) +

    public subroutine dbcsr_distribution_get(dist, row_dist, col_dist, nrows, ncols, has_threads, group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, subgroups_defined, prow_group, pcol_group)

    @@ -14995,7 +14995,7 @@

    Arguments

    @@ -15010,7 +15010,7 @@

    Arguments

    @@ -15025,7 +15025,7 @@

    Arguments

    @@ -15040,7 +15040,7 @@

    Arguments

    @@ -15055,7 +15055,7 @@

    Arguments

    @@ -15070,7 +15070,7 @@

    Arguments

    @@ -15085,7 +15085,7 @@

    Arguments

    @@ -15100,7 +15100,7 @@

    Arguments

    @@ -15115,7 +15115,7 @@

    Arguments

    @@ -15130,7 +15130,7 @@

    Arguments

    @@ -15145,7 +15145,7 @@

    Arguments

    @@ -15160,7 +15160,7 @@

    Arguments

    @@ -15175,7 +15175,7 @@

    Arguments

    @@ -15190,7 +15190,7 @@

    Arguments

    @@ -15205,7 +15205,7 @@

    Arguments

    @@ -15220,7 +15220,7 @@

    Arguments

    @@ -15235,7 +15235,7 @@

    Arguments

    @@ -15256,7 +15256,7 @@

    Arguments

    -

    public subroutine dbcsr_distribution_hold(dist) +

    public subroutine dbcsr_distribution_hold(dist)

    @@ -15275,7 +15275,7 @@

    Arguments

    @@ -15296,7 +15296,7 @@

    Arguments

    -

    public subroutine dbcsr_distribution_release(dist) +

    public subroutine dbcsr_distribution_release(dist)

    @@ -15315,7 +15315,7 @@

    Arguments

    @@ -15336,7 +15336,7 @@

    Arguments

    -

    private subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar) +

    private subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar)

    @@ -15355,7 +15355,7 @@

    Arguments

    @@ -15370,7 +15370,7 @@

    Arguments

    @@ -15385,7 +15385,7 @@

    Arguments

    @@ -15406,7 +15406,7 @@

    Arguments

    -

    private subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector) +

    private subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)

    @@ -15425,7 +15425,7 @@

    Arguments

    @@ -15440,7 +15440,7 @@

    Arguments

    @@ -15455,7 +15455,7 @@

    Arguments

    @@ -15495,7 +15495,7 @@

    Arguments

    @@ -15535,7 +15535,7 @@

    Arguments

    @@ -15550,7 +15550,7 @@

    Arguments

    @@ -15590,7 +15590,7 @@

    Arguments

    @@ -15611,7 +15611,7 @@

    Arguments

    -

    public subroutine dbcsr_release(matrix) +

    public subroutine dbcsr_release(matrix)

    @@ -15630,7 +15630,7 @@

    Arguments

    @@ -15670,7 +15670,7 @@

    Arguments

    @@ -15691,7 +15691,7 @@

    Arguments

    -

    public subroutine dbcsr_print(matrix, nodata, matlab_format, variable_name, unit_nr) +

    public subroutine dbcsr_print(matrix, nodata, matlab_format, variable_name, unit_nr)

    @@ -15710,7 +15710,7 @@

    Arguments

    @@ -15725,7 +15725,7 @@

    Arguments

    @@ -15740,7 +15740,7 @@

    Arguments

    @@ -15755,7 +15755,7 @@

    Arguments

    @@ -15770,7 +15770,7 @@

    Arguments

    @@ -15791,7 +15791,7 @@

    Arguments

    -

    public subroutine dbcsr_print_block_sum(matrix, unit_nr) +

    public subroutine dbcsr_print_block_sum(matrix, unit_nr)

    @@ -15810,7 +15810,7 @@

    Arguments

    @@ -15825,7 +15825,7 @@

    Arguments

    @@ -15846,7 +15846,7 @@

    Arguments

    -

    public subroutine dbcsr_sum_replicated(matrix) +

    public subroutine dbcsr_sum_replicated(matrix)

    @@ -15865,7 +15865,7 @@

    Arguments

    @@ -15886,7 +15886,7 @@

    Arguments

    -

    public subroutine dbcsr_triu(matrix) +

    public subroutine dbcsr_triu(matrix)

    @@ -15905,7 +15905,7 @@

    Arguments

    @@ -15945,7 +15945,7 @@

    Arguments

    @@ -16015,7 +16015,7 @@

    Arguments

    @@ -16030,7 +16030,7 @@

    Arguments

    @@ -16045,7 +16045,7 @@

    Arguments

    @@ -16060,7 +16060,7 @@

    Arguments

    @@ -16075,7 +16075,7 @@

    Arguments

    @@ -16090,7 +16090,7 @@

    Arguments

    @@ -16105,7 +16105,7 @@

    Arguments

    @@ -16145,7 +16145,7 @@

    Arguments

    @@ -16160,7 +16160,7 @@

    Arguments

    @@ -16200,7 +16200,7 @@

    Arguments

    @@ -16255,7 +16255,7 @@

    Arguments

    @@ -16300,7 +16300,7 @@

    Arguments

    @@ -16355,7 +16355,7 @@

    Arguments

    @@ -16370,7 +16370,7 @@

    Arguments

    @@ -16385,7 +16385,7 @@

    Arguments

    @@ -16400,7 +16400,7 @@

    Arguments

    @@ -16415,7 +16415,7 @@

    Arguments

    @@ -16430,7 +16430,7 @@

    Arguments

    @@ -16445,7 +16445,7 @@

    Arguments

    @@ -16460,7 +16460,7 @@

    Arguments

    @@ -16475,7 +16475,7 @@

    Arguments

    @@ -16490,7 +16490,7 @@

    Arguments

    @@ -16505,7 +16505,7 @@

    Arguments

    @@ -16560,7 +16560,7 @@

    Arguments

    @@ -16575,7 +16575,7 @@

    Arguments

    @@ -16590,7 +16590,7 @@

    Arguments

    @@ -16605,7 +16605,7 @@

    Arguments

    @@ -16620,7 +16620,7 @@

    Arguments

    @@ -16635,7 +16635,7 @@

    Arguments

    @@ -16650,7 +16650,7 @@

    Arguments

    @@ -16665,7 +16665,7 @@

    Arguments

    @@ -16680,7 +16680,7 @@

    Arguments

    @@ -16695,7 +16695,7 @@

    Arguments

    @@ -16710,7 +16710,7 @@

    Arguments

    @@ -16765,7 +16765,7 @@

    Arguments

    @@ -16780,7 +16780,7 @@

    Arguments

    @@ -16795,7 +16795,7 @@

    Arguments

    @@ -16810,7 +16810,7 @@

    Arguments

    @@ -16825,7 +16825,7 @@

    Arguments

    @@ -16846,7 +16846,7 @@

    Arguments

    -

    public subroutine dbcsr_get_block_diag(matrix, diag) +

    public subroutine dbcsr_get_block_diag(matrix, diag)

    @@ -16865,7 +16865,7 @@

    Arguments

    @@ -16880,7 +16880,7 @@

    Arguments

    @@ -16901,7 +16901,7 @@

    Arguments

    -

    public subroutine dbcsr_binary_write(matrix, filepath) +

    public subroutine dbcsr_binary_write(matrix, filepath)

    @@ -16920,7 +16920,7 @@

    Arguments

    @@ -16935,7 +16935,7 @@

    Arguments

    @@ -16956,7 +16956,7 @@

    Arguments

    -

    public subroutine dbcsr_binary_read(filepath, distribution, matrix_new) +

    public subroutine dbcsr_binary_read(filepath, distribution, matrix_new)

    @@ -16975,7 +16975,7 @@

    Arguments

    @@ -16990,7 +16990,7 @@

    Arguments

    @@ -17005,7 +17005,7 @@

    Arguments

    @@ -17026,7 +17026,7 @@

    Arguments

    -

    public subroutine dbcsr_copy(matrix_b, matrix_a, name, keep_sparsity, shallow_data, keep_imaginary, matrix_type) +

    public subroutine dbcsr_copy(matrix_b, matrix_a, name, keep_sparsity, shallow_data, keep_imaginary, matrix_type)

    @@ -17045,7 +17045,7 @@

    Arguments

    @@ -17060,7 +17060,7 @@

    Arguments

    @@ -17075,7 +17075,7 @@

    Arguments

    @@ -17090,7 +17090,7 @@

    Arguments

    @@ -17105,7 +17105,7 @@

    Arguments

    @@ -17120,7 +17120,7 @@

    Arguments

    @@ -17135,7 +17135,7 @@

    Arguments

    @@ -17156,7 +17156,7 @@

    Arguments

    -

    public subroutine dbcsr_copy_into_existing(matrix_b, matrix_a) +

    public subroutine dbcsr_copy_into_existing(matrix_b, matrix_a)

    @@ -17175,7 +17175,7 @@

    Arguments

    @@ -17190,7 +17190,7 @@

    Arguments

    @@ -17230,7 +17230,7 @@

    Arguments

    @@ -17245,7 +17245,7 @@

    Arguments

    @@ -17285,7 +17285,7 @@

    Arguments

    @@ -17300,7 +17300,7 @@

    Arguments

    @@ -17315,7 +17315,7 @@

    Arguments

    @@ -17330,7 +17330,7 @@

    Arguments

    @@ -17345,7 +17345,7 @@

    Arguments

    @@ -17360,7 +17360,7 @@

    Arguments

    @@ -17381,7 +17381,7 @@

    Arguments

    -

    public subroutine dbcsr_function_of_elements(matrix_a, func, a0, a1, a2) +

    public subroutine dbcsr_function_of_elements(matrix_a, func, a0, a1, a2)

    @@ -17400,7 +17400,7 @@

    Arguments

    @@ -17415,7 +17415,7 @@

    Arguments

    @@ -17430,7 +17430,7 @@

    Arguments

    @@ -17445,7 +17445,7 @@

    Arguments

    @@ -17460,7 +17460,7 @@

    Arguments

    @@ -17481,7 +17481,7 @@

    Arguments

    -

    public subroutine dbcsr_hadamard_product(matrix_a, matrix_b, matrix_c, b_assume_value) +

    public subroutine dbcsr_hadamard_product(matrix_a, matrix_b, matrix_c, b_assume_value)

    @@ -17500,7 +17500,7 @@

    Arguments

    @@ -17515,7 +17515,7 @@

    Arguments

    @@ -17530,7 +17530,7 @@

    Arguments

    @@ -17545,7 +17545,7 @@

    Arguments

    @@ -17585,7 +17585,7 @@

    Arguments

    @@ -17625,7 +17625,7 @@

    Arguments

    @@ -17715,7 +17715,7 @@

    Arguments

    @@ -17730,7 +17730,7 @@

    Arguments

    @@ -17770,7 +17770,7 @@

    Arguments

    @@ -17785,7 +17785,7 @@

    Arguments

    @@ -17815,7 +17815,7 @@

    Arguments

    @@ -17830,7 +17830,7 @@

    Arguments

    @@ -17870,7 +17870,7 @@

    Arguments

    @@ -17885,7 +17885,7 @@

    Arguments

    @@ -17925,7 +17925,7 @@

    Arguments

    @@ -17940,7 +17940,7 @@

    Arguments

    @@ -17981,7 +17981,7 @@

    Arguments

    @@ -17996,7 +17996,7 @@

    Arguments

    @@ -18011,7 +18011,7 @@

    Arguments

    @@ -18032,7 +18032,7 @@

    Arguments

    -

    public subroutine dbcsr_clear(dbcsr_mat) +

    public subroutine dbcsr_clear(dbcsr_mat)

    @@ -18051,7 +18051,7 @@

    Arguments

    @@ -18072,7 +18072,7 @@

    Arguments

    -

    public subroutine dbcsr_add_block_node(matrix, block_row, block_col, block) +

    public subroutine dbcsr_add_block_node(matrix, block_row, block_col, block)

    @@ -18094,7 +18094,7 @@

    Arguments

    @@ -18109,7 +18109,7 @@

    Arguments

    @@ -18125,7 +18125,7 @@

    Arguments

    @@ -18141,7 +18141,7 @@

    Arguments

    @@ -18181,7 +18181,7 @@

    Arguments

    @@ -18196,7 +18196,7 @@

    Arguments

    @@ -18211,7 +18211,7 @@

    Arguments

    @@ -18256,7 +18256,7 @@

    Arguments

    @@ -18271,7 +18271,7 @@

    Arguments

    @@ -18316,7 +18316,7 @@

    Arguments

    @@ -18331,7 +18331,7 @@

    Arguments

    @@ -18346,7 +18346,7 @@

    Arguments

    @@ -18391,7 +18391,7 @@

    Arguments

    @@ -18406,7 +18406,7 @@

    Arguments

    @@ -18442,7 +18442,7 @@

    Arguments

    -

    private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed)

    @@ -18461,7 +18461,7 @@

    Arguments

    @@ -18476,7 +18476,7 @@

    Arguments

    @@ -18491,7 +18491,7 @@

    Arguments

    @@ -18506,7 +18506,7 @@

    Arguments

    @@ -18521,7 +18521,7 @@

    Arguments

    @@ -18536,7 +18536,7 @@

    Arguments

    @@ -18576,7 +18576,7 @@

    Arguments

    @@ -18591,7 +18591,7 @@

    Arguments

    @@ -18606,7 +18606,7 @@

    Arguments

    @@ -18621,7 +18621,7 @@

    Arguments

    @@ -18636,7 +18636,7 @@

    Arguments

    @@ -18651,7 +18651,7 @@

    Arguments

    @@ -18666,7 +18666,7 @@

    Arguments

    @@ -18681,7 +18681,7 @@

    Arguments

    @@ -18696,7 +18696,7 @@

    Arguments

    @@ -18711,7 +18711,7 @@

    Arguments

    @@ -18751,7 +18751,7 @@

    Arguments

    @@ -18766,7 +18766,7 @@

    Arguments

    @@ -18781,7 +18781,7 @@

    Arguments

    @@ -18796,7 +18796,7 @@

    Arguments

    @@ -18811,7 +18811,7 @@

    Arguments

    @@ -18826,7 +18826,7 @@

    Arguments

    @@ -18841,7 +18841,7 @@

    Arguments

    @@ -18856,7 +18856,7 @@

    Arguments

    @@ -18871,7 +18871,7 @@

    Arguments

    @@ -18911,7 +18911,7 @@

    Arguments

    @@ -18926,7 +18926,7 @@

    Arguments

    @@ -18941,7 +18941,7 @@

    Arguments

    @@ -18956,7 +18956,7 @@

    Arguments

    @@ -18971,7 +18971,7 @@

    Arguments

    @@ -18986,7 +18986,7 @@

    Arguments

    @@ -19001,7 +19001,7 @@

    Arguments

    @@ -19016,7 +19016,7 @@

    Arguments

    @@ -19031,7 +19031,7 @@

    Arguments

    @@ -19046,7 +19046,7 @@

    Arguments

    @@ -19086,7 +19086,7 @@

    Arguments

    @@ -19101,7 +19101,7 @@

    Arguments

    @@ -19116,7 +19116,7 @@

    Arguments

    @@ -19131,7 +19131,7 @@

    Arguments

    @@ -19146,7 +19146,7 @@

    Arguments

    @@ -19161,7 +19161,7 @@

    Arguments

    @@ -19176,7 +19176,7 @@

    Arguments

    @@ -19191,7 +19191,7 @@

    Arguments

    @@ -19206,7 +19206,7 @@

    Arguments

    @@ -19227,7 +19227,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, summation, scale)

    @@ -19246,7 +19246,7 @@

    Arguments

    @@ -19261,7 +19261,7 @@

    Arguments

    @@ -19276,7 +19276,7 @@

    Arguments

    @@ -19291,7 +19291,7 @@

    Arguments

    @@ -19306,7 +19306,7 @@

    Arguments

    @@ -19321,7 +19321,7 @@

    Arguments

    @@ -19342,7 +19342,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block_d(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_d(matrix, row, col, block, summation, scale)

    @@ -19361,7 +19361,7 @@

    Arguments

    @@ -19376,7 +19376,7 @@

    Arguments

    @@ -19391,7 +19391,7 @@

    Arguments

    @@ -19406,7 +19406,7 @@

    Arguments

    @@ -19421,7 +19421,7 @@

    Arguments

    @@ -19436,7 +19436,7 @@

    Arguments

    @@ -19457,7 +19457,7 @@

    Arguments

    -

    private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -19476,7 +19476,7 @@

    Arguments

    @@ -19491,7 +19491,7 @@

    Arguments

    @@ -19506,7 +19506,7 @@

    Arguments

    @@ -19521,7 +19521,7 @@

    Arguments

    @@ -19536,7 +19536,7 @@

    Arguments

    @@ -19551,7 +19551,7 @@

    Arguments

    @@ -19566,7 +19566,7 @@

    Arguments

    @@ -19581,7 +19581,7 @@

    Arguments

    @@ -19621,7 +19621,7 @@

    Arguments

    @@ -19636,7 +19636,7 @@

    Arguments

    @@ -19651,7 +19651,7 @@

    Arguments

    @@ -19666,7 +19666,7 @@

    Arguments

    @@ -19681,7 +19681,7 @@

    Arguments

    @@ -19696,7 +19696,7 @@

    Arguments

    @@ -19711,7 +19711,7 @@

    Arguments

    @@ -19732,7 +19732,7 @@

    Arguments

    -

    private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -19751,7 +19751,7 @@

    Arguments

    @@ -19766,7 +19766,7 @@

    Arguments

    @@ -19781,7 +19781,7 @@

    Arguments

    @@ -19796,7 +19796,7 @@

    Arguments

    @@ -19811,7 +19811,7 @@

    Arguments

    @@ -19826,7 +19826,7 @@

    Arguments

    @@ -19841,7 +19841,7 @@

    Arguments

    @@ -19856,7 +19856,7 @@

    Arguments

    @@ -19896,7 +19896,7 @@

    Arguments

    @@ -19911,7 +19911,7 @@

    Arguments

    @@ -19926,7 +19926,7 @@

    Arguments

    @@ -19941,7 +19941,7 @@

    Arguments

    @@ -19956,7 +19956,7 @@

    Arguments

    @@ -19971,7 +19971,7 @@

    Arguments

    @@ -19986,7 +19986,7 @@

    Arguments

    @@ -20007,7 +20007,7 @@

    Arguments

    -

    private subroutine dbcsr_trace_d(matrix_a, trace) +

    private subroutine dbcsr_trace_d(matrix_a, trace)

    @@ -20026,7 +20026,7 @@

    Arguments

    @@ -20041,7 +20041,7 @@

    Arguments

    @@ -20062,7 +20062,7 @@

    Arguments

    -

    private subroutine dbcsr_dot_d(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_d(matrix_a, matrix_b, result)

    @@ -20081,7 +20081,7 @@

    Arguments

    @@ -20096,7 +20096,7 @@

    Arguments

    @@ -20132,7 +20132,7 @@

    Arguments

    -

    private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -20151,7 +20151,7 @@

    Arguments

    @@ -20166,7 +20166,7 @@

    Arguments

    @@ -20181,7 +20181,7 @@

    Arguments

    @@ -20196,7 +20196,7 @@

    Arguments

    @@ -20211,7 +20211,7 @@

    Arguments

    @@ -20226,7 +20226,7 @@

    Arguments

    @@ -20241,7 +20241,7 @@

    Arguments

    @@ -20256,7 +20256,7 @@

    Arguments

    @@ -20271,7 +20271,7 @@

    Arguments

    @@ -20286,7 +20286,7 @@

    Arguments

    @@ -20301,7 +20301,7 @@

    Arguments

    @@ -20316,7 +20316,7 @@

    Arguments

    @@ -20331,7 +20331,7 @@

    Arguments

    @@ -20346,7 +20346,7 @@

    Arguments

    @@ -20361,7 +20361,7 @@

    Arguments

    @@ -20376,7 +20376,7 @@

    Arguments

    @@ -20397,7 +20397,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side)

    @@ -20416,7 +20416,7 @@

    Arguments

    @@ -20431,7 +20431,7 @@

    Arguments

    @@ -20446,7 +20446,7 @@

    Arguments

    @@ -20467,7 +20467,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)

    @@ -20486,7 +20486,7 @@

    Arguments

    @@ -20501,7 +20501,7 @@

    Arguments

    @@ -20516,7 +20516,7 @@

    Arguments

    @@ -20537,7 +20537,7 @@

    Arguments

    -

    private subroutine dbcsr_set_d(matrix, alpha) +

    private subroutine dbcsr_set_d(matrix, alpha)

    @@ -20556,7 +20556,7 @@

    Arguments

    @@ -20571,7 +20571,7 @@

    Arguments

    @@ -20592,7 +20592,7 @@

    Arguments

    -

    private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -20611,7 +20611,7 @@

    Arguments

    @@ -20626,7 +20626,7 @@

    Arguments

    @@ -20641,7 +20641,7 @@

    Arguments

    @@ -20656,7 +20656,7 @@

    Arguments

    @@ -20677,7 +20677,7 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_d(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_d(matrix, alpha_scalar)

    @@ -20696,7 +20696,7 @@

    Arguments

    @@ -20711,7 +20711,7 @@

    Arguments

    @@ -20732,7 +20732,7 @@

    Arguments

    -

    private subroutine dbcsr_set_diag_d(matrix, diag) +

    private subroutine dbcsr_set_diag_d(matrix, diag)

    @@ -20751,7 +20751,7 @@

    Arguments

    @@ -20766,7 +20766,7 @@

    Arguments

    @@ -20787,7 +20787,7 @@

    Arguments

    -

    private subroutine dbcsr_get_diag_d(matrix, diag) +

    private subroutine dbcsr_get_diag_d(matrix, diag)

    @@ -20806,7 +20806,7 @@

    Arguments

    @@ -20821,7 +20821,7 @@

    Arguments

    @@ -20842,7 +20842,7 @@

    Arguments

    -

    private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed)

    @@ -20861,7 +20861,7 @@

    Arguments

    @@ -20876,7 +20876,7 @@

    Arguments

    @@ -20891,7 +20891,7 @@

    Arguments

    @@ -20906,7 +20906,7 @@

    Arguments

    @@ -20921,7 +20921,7 @@

    Arguments

    @@ -20936,7 +20936,7 @@

    Arguments

    @@ -20976,7 +20976,7 @@

    Arguments

    @@ -20991,7 +20991,7 @@

    Arguments

    @@ -21006,7 +21006,7 @@

    Arguments

    @@ -21021,7 +21021,7 @@

    Arguments

    @@ -21036,7 +21036,7 @@

    Arguments

    @@ -21051,7 +21051,7 @@

    Arguments

    @@ -21066,7 +21066,7 @@

    Arguments

    @@ -21081,7 +21081,7 @@

    Arguments

    @@ -21096,7 +21096,7 @@

    Arguments

    @@ -21111,7 +21111,7 @@

    Arguments

    @@ -21151,7 +21151,7 @@

    Arguments

    @@ -21166,7 +21166,7 @@

    Arguments

    @@ -21181,7 +21181,7 @@

    Arguments

    @@ -21196,7 +21196,7 @@

    Arguments

    @@ -21211,7 +21211,7 @@

    Arguments

    @@ -21226,7 +21226,7 @@

    Arguments

    @@ -21241,7 +21241,7 @@

    Arguments

    @@ -21256,7 +21256,7 @@

    Arguments

    @@ -21271,7 +21271,7 @@

    Arguments

    @@ -21311,7 +21311,7 @@

    Arguments

    @@ -21326,7 +21326,7 @@

    Arguments

    @@ -21341,7 +21341,7 @@

    Arguments

    @@ -21356,7 +21356,7 @@

    Arguments

    @@ -21371,7 +21371,7 @@

    Arguments

    @@ -21386,7 +21386,7 @@

    Arguments

    @@ -21401,7 +21401,7 @@

    Arguments

    @@ -21416,7 +21416,7 @@

    Arguments

    @@ -21431,7 +21431,7 @@

    Arguments

    @@ -21446,7 +21446,7 @@

    Arguments

    @@ -21486,7 +21486,7 @@

    Arguments

    @@ -21501,7 +21501,7 @@

    Arguments

    @@ -21516,7 +21516,7 @@

    Arguments

    @@ -21531,7 +21531,7 @@

    Arguments

    @@ -21546,7 +21546,7 @@

    Arguments

    @@ -21561,7 +21561,7 @@

    Arguments

    @@ -21576,7 +21576,7 @@

    Arguments

    @@ -21591,7 +21591,7 @@

    Arguments

    @@ -21606,7 +21606,7 @@

    Arguments

    @@ -21627,7 +21627,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, summation, scale)

    @@ -21646,7 +21646,7 @@

    Arguments

    @@ -21661,7 +21661,7 @@

    Arguments

    @@ -21676,7 +21676,7 @@

    Arguments

    @@ -21691,7 +21691,7 @@

    Arguments

    @@ -21706,7 +21706,7 @@

    Arguments

    @@ -21721,7 +21721,7 @@

    Arguments

    @@ -21742,7 +21742,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block_s(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_s(matrix, row, col, block, summation, scale)

    @@ -21761,7 +21761,7 @@

    Arguments

    @@ -21776,7 +21776,7 @@

    Arguments

    @@ -21791,7 +21791,7 @@

    Arguments

    @@ -21806,7 +21806,7 @@

    Arguments

    @@ -21821,7 +21821,7 @@

    Arguments

    @@ -21836,7 +21836,7 @@

    Arguments

    @@ -21857,7 +21857,7 @@

    Arguments

    -

    private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -21876,7 +21876,7 @@

    Arguments

    @@ -21891,7 +21891,7 @@

    Arguments

    @@ -21906,7 +21906,7 @@

    Arguments

    @@ -21921,7 +21921,7 @@

    Arguments

    @@ -21936,7 +21936,7 @@

    Arguments

    @@ -21951,7 +21951,7 @@

    Arguments

    @@ -21966,7 +21966,7 @@

    Arguments

    @@ -21981,7 +21981,7 @@

    Arguments

    @@ -22021,7 +22021,7 @@

    Arguments

    @@ -22036,7 +22036,7 @@

    Arguments

    @@ -22051,7 +22051,7 @@

    Arguments

    @@ -22066,7 +22066,7 @@

    Arguments

    @@ -22081,7 +22081,7 @@

    Arguments

    @@ -22096,7 +22096,7 @@

    Arguments

    @@ -22111,7 +22111,7 @@

    Arguments

    @@ -22132,7 +22132,7 @@

    Arguments

    -

    private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -22151,7 +22151,7 @@

    Arguments

    @@ -22166,7 +22166,7 @@

    Arguments

    @@ -22181,7 +22181,7 @@

    Arguments

    @@ -22196,7 +22196,7 @@

    Arguments

    @@ -22211,7 +22211,7 @@

    Arguments

    @@ -22226,7 +22226,7 @@

    Arguments

    @@ -22241,7 +22241,7 @@

    Arguments

    @@ -22256,7 +22256,7 @@

    Arguments

    @@ -22296,7 +22296,7 @@

    Arguments

    @@ -22311,7 +22311,7 @@

    Arguments

    @@ -22326,7 +22326,7 @@

    Arguments

    @@ -22341,7 +22341,7 @@

    Arguments

    @@ -22356,7 +22356,7 @@

    Arguments

    @@ -22371,7 +22371,7 @@

    Arguments

    @@ -22386,7 +22386,7 @@

    Arguments

    @@ -22407,7 +22407,7 @@

    Arguments

    -

    private subroutine dbcsr_trace_s(matrix_a, trace) +

    private subroutine dbcsr_trace_s(matrix_a, trace)

    @@ -22426,7 +22426,7 @@

    Arguments

    @@ -22441,7 +22441,7 @@

    Arguments

    @@ -22462,7 +22462,7 @@

    Arguments

    -

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, result)

    @@ -22481,7 +22481,7 @@

    Arguments

    @@ -22496,7 +22496,7 @@

    Arguments

    @@ -22532,7 +22532,7 @@

    Arguments

    -

    private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -22551,7 +22551,7 @@

    Arguments

    @@ -22566,7 +22566,7 @@

    Arguments

    @@ -22581,7 +22581,7 @@

    Arguments

    @@ -22596,7 +22596,7 @@

    Arguments

    @@ -22611,7 +22611,7 @@

    Arguments

    @@ -22626,7 +22626,7 @@

    Arguments

    @@ -22641,7 +22641,7 @@

    Arguments

    @@ -22656,7 +22656,7 @@

    Arguments

    @@ -22671,7 +22671,7 @@

    Arguments

    @@ -22686,7 +22686,7 @@

    Arguments

    @@ -22701,7 +22701,7 @@

    Arguments

    @@ -22716,7 +22716,7 @@

    Arguments

    @@ -22731,7 +22731,7 @@

    Arguments

    @@ -22746,7 +22746,7 @@

    Arguments

    @@ -22761,7 +22761,7 @@

    Arguments

    @@ -22776,7 +22776,7 @@

    Arguments

    @@ -22797,7 +22797,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side)

    @@ -22816,7 +22816,7 @@

    Arguments

    @@ -22831,7 +22831,7 @@

    Arguments

    @@ -22846,7 +22846,7 @@

    Arguments

    @@ -22867,7 +22867,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column)

    @@ -22886,7 +22886,7 @@

    Arguments

    @@ -22901,7 +22901,7 @@

    Arguments

    @@ -22916,7 +22916,7 @@

    Arguments

    @@ -22937,7 +22937,7 @@

    Arguments

    -

    private subroutine dbcsr_set_s(matrix, alpha) +

    private subroutine dbcsr_set_s(matrix, alpha)

    @@ -22956,7 +22956,7 @@

    Arguments

    @@ -22971,7 +22971,7 @@

    Arguments

    @@ -22992,7 +22992,7 @@

    Arguments

    -

    private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -23011,7 +23011,7 @@

    Arguments

    @@ -23026,7 +23026,7 @@

    Arguments

    @@ -23041,7 +23041,7 @@

    Arguments

    @@ -23056,7 +23056,7 @@

    Arguments

    @@ -23077,7 +23077,7 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_s(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_s(matrix, alpha_scalar)

    @@ -23096,7 +23096,7 @@

    Arguments

    @@ -23111,7 +23111,7 @@

    Arguments

    @@ -23132,7 +23132,7 @@

    Arguments

    -

    private subroutine dbcsr_set_diag_s(matrix, diag) +

    private subroutine dbcsr_set_diag_s(matrix, diag)

    @@ -23151,7 +23151,7 @@

    Arguments

    @@ -23166,7 +23166,7 @@

    Arguments

    @@ -23187,7 +23187,7 @@

    Arguments

    -

    private subroutine dbcsr_get_diag_s(matrix, diag) +

    private subroutine dbcsr_get_diag_s(matrix, diag)

    @@ -23206,7 +23206,7 @@

    Arguments

    @@ -23221,7 +23221,7 @@

    Arguments

    @@ -23242,7 +23242,7 @@

    Arguments

    -

    private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transposed, existed)

    @@ -23261,7 +23261,7 @@

    Arguments

    @@ -23276,7 +23276,7 @@

    Arguments

    @@ -23291,7 +23291,7 @@

    Arguments

    @@ -23306,7 +23306,7 @@

    Arguments

    @@ -23321,7 +23321,7 @@

    Arguments

    @@ -23336,7 +23336,7 @@

    Arguments

    @@ -23376,7 +23376,7 @@

    Arguments

    @@ -23391,7 +23391,7 @@

    Arguments

    @@ -23406,7 +23406,7 @@

    Arguments

    @@ -23421,7 +23421,7 @@

    Arguments

    @@ -23436,7 +23436,7 @@

    Arguments

    @@ -23451,7 +23451,7 @@

    Arguments

    @@ -23466,7 +23466,7 @@

    Arguments

    @@ -23481,7 +23481,7 @@

    Arguments

    @@ -23496,7 +23496,7 @@

    Arguments

    @@ -23511,7 +23511,7 @@

    Arguments

    @@ -23551,7 +23551,7 @@

    Arguments

    @@ -23566,7 +23566,7 @@

    Arguments

    @@ -23581,7 +23581,7 @@

    Arguments

    @@ -23596,7 +23596,7 @@

    Arguments

    @@ -23611,7 +23611,7 @@

    Arguments

    @@ -23626,7 +23626,7 @@

    Arguments

    @@ -23641,7 +23641,7 @@

    Arguments

    @@ -23656,7 +23656,7 @@

    Arguments

    @@ -23671,7 +23671,7 @@

    Arguments

    @@ -23711,7 +23711,7 @@

    Arguments

    @@ -23726,7 +23726,7 @@

    Arguments

    @@ -23741,7 +23741,7 @@

    Arguments

    @@ -23756,7 +23756,7 @@

    Arguments

    @@ -23771,7 +23771,7 @@

    Arguments

    @@ -23786,7 +23786,7 @@

    Arguments

    @@ -23801,7 +23801,7 @@

    Arguments

    @@ -23816,7 +23816,7 @@

    Arguments

    @@ -23831,7 +23831,7 @@

    Arguments

    @@ -23846,7 +23846,7 @@

    Arguments

    @@ -23886,7 +23886,7 @@

    Arguments

    @@ -23901,7 +23901,7 @@

    Arguments

    @@ -23916,7 +23916,7 @@

    Arguments

    @@ -23931,7 +23931,7 @@

    Arguments

    @@ -23946,7 +23946,7 @@

    Arguments

    @@ -23961,7 +23961,7 @@

    Arguments

    @@ -23976,7 +23976,7 @@

    Arguments

    @@ -23991,7 +23991,7 @@

    Arguments

    @@ -24006,7 +24006,7 @@

    Arguments

    @@ -24027,7 +24027,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, summation, scale)

    @@ -24046,7 +24046,7 @@

    Arguments

    @@ -24061,7 +24061,7 @@

    Arguments

    @@ -24076,7 +24076,7 @@

    Arguments

    @@ -24091,7 +24091,7 @@

    Arguments

    @@ -24106,7 +24106,7 @@

    Arguments

    @@ -24121,7 +24121,7 @@

    Arguments

    @@ -24142,7 +24142,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block_z(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_z(matrix, row, col, block, summation, scale)

    @@ -24161,7 +24161,7 @@

    Arguments

    @@ -24176,7 +24176,7 @@

    Arguments

    @@ -24191,7 +24191,7 @@

    Arguments

    @@ -24206,7 +24206,7 @@

    Arguments

    @@ -24221,7 +24221,7 @@

    Arguments

    @@ -24236,7 +24236,7 @@

    Arguments

    @@ -24257,7 +24257,7 @@

    Arguments

    -

    private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -24276,7 +24276,7 @@

    Arguments

    @@ -24291,7 +24291,7 @@

    Arguments

    @@ -24306,7 +24306,7 @@

    Arguments

    @@ -24321,7 +24321,7 @@

    Arguments

    @@ -24336,7 +24336,7 @@

    Arguments

    @@ -24351,7 +24351,7 @@

    Arguments

    @@ -24366,7 +24366,7 @@

    Arguments

    @@ -24381,7 +24381,7 @@

    Arguments

    @@ -24421,7 +24421,7 @@

    Arguments

    @@ -24436,7 +24436,7 @@

    Arguments

    @@ -24451,7 +24451,7 @@

    Arguments

    @@ -24466,7 +24466,7 @@

    Arguments

    @@ -24481,7 +24481,7 @@

    Arguments

    @@ -24496,7 +24496,7 @@

    Arguments

    @@ -24511,7 +24511,7 @@

    Arguments

    @@ -24532,7 +24532,7 @@

    Arguments

    -

    private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -24551,7 +24551,7 @@

    Arguments

    @@ -24566,7 +24566,7 @@

    Arguments

    @@ -24581,7 +24581,7 @@

    Arguments

    @@ -24596,7 +24596,7 @@

    Arguments

    @@ -24611,7 +24611,7 @@

    Arguments

    @@ -24626,7 +24626,7 @@

    Arguments

    @@ -24641,7 +24641,7 @@

    Arguments

    @@ -24656,7 +24656,7 @@

    Arguments

    @@ -24696,7 +24696,7 @@

    Arguments

    @@ -24711,7 +24711,7 @@

    Arguments

    @@ -24726,7 +24726,7 @@

    Arguments

    @@ -24741,7 +24741,7 @@

    Arguments

    @@ -24756,7 +24756,7 @@

    Arguments

    @@ -24771,7 +24771,7 @@

    Arguments

    @@ -24786,7 +24786,7 @@

    Arguments

    @@ -24807,7 +24807,7 @@

    Arguments

    -

    private subroutine dbcsr_trace_z(matrix_a, trace) +

    private subroutine dbcsr_trace_z(matrix_a, trace)

    @@ -24826,7 +24826,7 @@

    Arguments

    @@ -24841,7 +24841,7 @@

    Arguments

    @@ -24862,7 +24862,7 @@

    Arguments

    -

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, result)

    @@ -24881,7 +24881,7 @@

    Arguments

    @@ -24896,7 +24896,7 @@

    Arguments

    @@ -24932,7 +24932,7 @@

    Arguments

    -

    private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -24951,7 +24951,7 @@

    Arguments

    @@ -24966,7 +24966,7 @@

    Arguments

    @@ -24981,7 +24981,7 @@

    Arguments

    @@ -24996,7 +24996,7 @@

    Arguments

    @@ -25011,7 +25011,7 @@

    Arguments

    @@ -25026,7 +25026,7 @@

    Arguments

    @@ -25041,7 +25041,7 @@

    Arguments

    @@ -25056,7 +25056,7 @@

    Arguments

    @@ -25071,7 +25071,7 @@

    Arguments

    @@ -25086,7 +25086,7 @@

    Arguments

    @@ -25101,7 +25101,7 @@

    Arguments

    @@ -25116,7 +25116,7 @@

    Arguments

    @@ -25131,7 +25131,7 @@

    Arguments

    @@ -25146,7 +25146,7 @@

    Arguments

    @@ -25161,7 +25161,7 @@

    Arguments

    @@ -25176,7 +25176,7 @@

    Arguments

    @@ -25197,7 +25197,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side)

    @@ -25216,7 +25216,7 @@

    Arguments

    @@ -25231,7 +25231,7 @@

    Arguments

    @@ -25246,7 +25246,7 @@

    Arguments

    @@ -25267,7 +25267,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column)

    @@ -25286,7 +25286,7 @@

    Arguments

    @@ -25301,7 +25301,7 @@

    Arguments

    @@ -25316,7 +25316,7 @@

    Arguments

    @@ -25337,7 +25337,7 @@

    Arguments

    -

    private subroutine dbcsr_set_z(matrix, alpha) +

    private subroutine dbcsr_set_z(matrix, alpha)

    @@ -25356,7 +25356,7 @@

    Arguments

    @@ -25371,7 +25371,7 @@

    Arguments

    @@ -25392,7 +25392,7 @@

    Arguments

    -

    private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -25411,7 +25411,7 @@

    Arguments

    @@ -25426,7 +25426,7 @@

    Arguments

    @@ -25441,7 +25441,7 @@

    Arguments

    @@ -25456,7 +25456,7 @@

    Arguments

    @@ -25477,7 +25477,7 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_z(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_z(matrix, alpha_scalar)

    @@ -25496,7 +25496,7 @@

    Arguments

    @@ -25511,7 +25511,7 @@

    Arguments

    @@ -25532,7 +25532,7 @@

    Arguments

    -

    private subroutine dbcsr_set_diag_z(matrix, diag) +

    private subroutine dbcsr_set_diag_z(matrix, diag)

    @@ -25551,7 +25551,7 @@

    Arguments

    @@ -25566,7 +25566,7 @@

    Arguments

    @@ -25587,7 +25587,7 @@

    Arguments

    -

    private subroutine dbcsr_get_diag_z(matrix, diag) +

    private subroutine dbcsr_get_diag_z(matrix, diag)

    @@ -25606,7 +25606,7 @@

    Arguments

    @@ -25621,7 +25621,7 @@

    Arguments

    @@ -25642,7 +25642,7 @@

    Arguments

    -

    private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transposed, existed)

    @@ -25661,7 +25661,7 @@

    Arguments

    @@ -25676,7 +25676,7 @@

    Arguments

    @@ -25691,7 +25691,7 @@

    Arguments

    @@ -25706,7 +25706,7 @@

    Arguments

    @@ -25721,7 +25721,7 @@

    Arguments

    @@ -25736,7 +25736,7 @@

    Arguments

    @@ -25776,7 +25776,7 @@

    Arguments

    @@ -25791,7 +25791,7 @@

    Arguments

    @@ -25806,7 +25806,7 @@

    Arguments

    @@ -25821,7 +25821,7 @@

    Arguments

    @@ -25836,7 +25836,7 @@

    Arguments

    @@ -25851,7 +25851,7 @@

    Arguments

    @@ -25866,7 +25866,7 @@

    Arguments

    @@ -25881,7 +25881,7 @@

    Arguments

    @@ -25896,7 +25896,7 @@

    Arguments

    @@ -25911,7 +25911,7 @@

    Arguments

    @@ -25951,7 +25951,7 @@

    Arguments

    @@ -25966,7 +25966,7 @@

    Arguments

    @@ -25981,7 +25981,7 @@

    Arguments

    @@ -25996,7 +25996,7 @@

    Arguments

    @@ -26011,7 +26011,7 @@

    Arguments

    @@ -26026,7 +26026,7 @@

    Arguments

    @@ -26041,7 +26041,7 @@

    Arguments

    @@ -26056,7 +26056,7 @@

    Arguments

    @@ -26071,7 +26071,7 @@

    Arguments

    @@ -26111,7 +26111,7 @@

    Arguments

    @@ -26126,7 +26126,7 @@

    Arguments

    @@ -26141,7 +26141,7 @@

    Arguments

    @@ -26156,7 +26156,7 @@

    Arguments

    @@ -26171,7 +26171,7 @@

    Arguments

    @@ -26186,7 +26186,7 @@

    Arguments

    @@ -26201,7 +26201,7 @@

    Arguments

    @@ -26216,7 +26216,7 @@

    Arguments

    @@ -26231,7 +26231,7 @@

    Arguments

    @@ -26246,7 +26246,7 @@

    Arguments

    @@ -26286,7 +26286,7 @@

    Arguments

    @@ -26301,7 +26301,7 @@

    Arguments

    @@ -26316,7 +26316,7 @@

    Arguments

    @@ -26331,7 +26331,7 @@

    Arguments

    @@ -26346,7 +26346,7 @@

    Arguments

    @@ -26361,7 +26361,7 @@

    Arguments

    @@ -26376,7 +26376,7 @@

    Arguments

    @@ -26391,7 +26391,7 @@

    Arguments

    @@ -26406,7 +26406,7 @@

    Arguments

    @@ -26427,7 +26427,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, summation, scale)

    @@ -26446,7 +26446,7 @@

    Arguments

    @@ -26461,7 +26461,7 @@

    Arguments

    @@ -26476,7 +26476,7 @@

    Arguments

    @@ -26491,7 +26491,7 @@

    Arguments

    @@ -26506,7 +26506,7 @@

    Arguments

    @@ -26521,7 +26521,7 @@

    Arguments

    @@ -26542,7 +26542,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block_c(matrix, row, col, block, summation, scale) +

    private subroutine dbcsr_put_block_c(matrix, row, col, block, summation, scale)

    @@ -26561,7 +26561,7 @@

    Arguments

    @@ -26576,7 +26576,7 @@

    Arguments

    @@ -26591,7 +26591,7 @@

    Arguments

    @@ -26606,7 +26606,7 @@

    Arguments

    @@ -26621,7 +26621,7 @@

    Arguments

    @@ -26636,7 +26636,7 @@

    Arguments

    @@ -26657,7 +26657,7 @@

    Arguments

    -

    private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -26676,7 +26676,7 @@

    Arguments

    @@ -26691,7 +26691,7 @@

    Arguments

    @@ -26706,7 +26706,7 @@

    Arguments

    @@ -26721,7 +26721,7 @@

    Arguments

    @@ -26736,7 +26736,7 @@

    Arguments

    @@ -26751,7 +26751,7 @@

    Arguments

    @@ -26766,7 +26766,7 @@

    Arguments

    @@ -26781,7 +26781,7 @@

    Arguments

    @@ -26821,7 +26821,7 @@

    Arguments

    @@ -26836,7 +26836,7 @@

    Arguments

    @@ -26851,7 +26851,7 @@

    Arguments

    @@ -26866,7 +26866,7 @@

    Arguments

    @@ -26881,7 +26881,7 @@

    Arguments

    @@ -26896,7 +26896,7 @@

    Arguments

    @@ -26911,7 +26911,7 @@

    Arguments

    @@ -26932,7 +26932,7 @@

    Arguments

    -

    private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -26951,7 +26951,7 @@

    Arguments

    @@ -26966,7 +26966,7 @@

    Arguments

    @@ -26981,7 +26981,7 @@

    Arguments

    @@ -26996,7 +26996,7 @@

    Arguments

    @@ -27011,7 +27011,7 @@

    Arguments

    @@ -27026,7 +27026,7 @@

    Arguments

    @@ -27041,7 +27041,7 @@

    Arguments

    @@ -27056,7 +27056,7 @@

    Arguments

    @@ -27096,7 +27096,7 @@

    Arguments

    @@ -27111,7 +27111,7 @@

    Arguments

    @@ -27126,7 +27126,7 @@

    Arguments

    @@ -27141,7 +27141,7 @@

    Arguments

    @@ -27156,7 +27156,7 @@

    Arguments

    @@ -27171,7 +27171,7 @@

    Arguments

    @@ -27186,7 +27186,7 @@

    Arguments

    @@ -27207,7 +27207,7 @@

    Arguments

    -

    private subroutine dbcsr_trace_c(matrix_a, trace) +

    private subroutine dbcsr_trace_c(matrix_a, trace)

    @@ -27226,7 +27226,7 @@

    Arguments

    @@ -27241,7 +27241,7 @@

    Arguments

    @@ -27262,7 +27262,7 @@

    Arguments

    -

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, result) +

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, result)

    @@ -27281,7 +27281,7 @@

    Arguments

    @@ -27296,7 +27296,7 @@

    Arguments

    @@ -27332,7 +27332,7 @@

    Arguments

    -

    private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -27351,7 +27351,7 @@

    Arguments

    @@ -27366,7 +27366,7 @@

    Arguments

    @@ -27381,7 +27381,7 @@

    Arguments

    @@ -27396,7 +27396,7 @@

    Arguments

    @@ -27411,7 +27411,7 @@

    Arguments

    @@ -27426,7 +27426,7 @@

    Arguments

    @@ -27441,7 +27441,7 @@

    Arguments

    @@ -27456,7 +27456,7 @@

    Arguments

    @@ -27471,7 +27471,7 @@

    Arguments

    @@ -27486,7 +27486,7 @@

    Arguments

    @@ -27501,7 +27501,7 @@

    Arguments

    @@ -27516,7 +27516,7 @@

    Arguments

    @@ -27531,7 +27531,7 @@

    Arguments

    @@ -27546,7 +27546,7 @@

    Arguments

    @@ -27561,7 +27561,7 @@

    Arguments

    @@ -27576,7 +27576,7 @@

    Arguments

    @@ -27597,7 +27597,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side)

    @@ -27616,7 +27616,7 @@

    Arguments

    @@ -27631,7 +27631,7 @@

    Arguments

    @@ -27646,7 +27646,7 @@

    Arguments

    @@ -27667,7 +27667,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column)

    @@ -27686,7 +27686,7 @@

    Arguments

    @@ -27701,7 +27701,7 @@

    Arguments

    @@ -27716,7 +27716,7 @@

    Arguments

    @@ -27737,7 +27737,7 @@

    Arguments

    -

    private subroutine dbcsr_set_c(matrix, alpha) +

    private subroutine dbcsr_set_c(matrix, alpha)

    @@ -27756,7 +27756,7 @@

    Arguments

    @@ -27771,7 +27771,7 @@

    Arguments

    @@ -27792,7 +27792,7 @@

    Arguments

    -

    private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -27811,7 +27811,7 @@

    Arguments

    @@ -27826,7 +27826,7 @@

    Arguments

    @@ -27841,7 +27841,7 @@

    Arguments

    @@ -27856,7 +27856,7 @@

    Arguments

    @@ -27877,7 +27877,7 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_c(matrix, alpha_scalar) +

    private subroutine dbcsr_add_on_diag_c(matrix, alpha_scalar)

    @@ -27896,7 +27896,7 @@

    Arguments

    @@ -27911,7 +27911,7 @@

    Arguments

    @@ -27932,7 +27932,7 @@

    Arguments

    -

    private subroutine dbcsr_set_diag_c(matrix, diag) +

    private subroutine dbcsr_set_diag_c(matrix, diag)

    @@ -27951,7 +27951,7 @@

    Arguments

    @@ -27966,7 +27966,7 @@

    Arguments

    @@ -27987,7 +27987,7 @@

    Arguments

    -

    private subroutine dbcsr_get_diag_c(matrix, diag) +

    private subroutine dbcsr_get_diag_c(matrix, diag)

    @@ -28006,7 +28006,7 @@

    Arguments

    @@ -28021,7 +28021,7 @@

    Arguments

    diff --git a/develop/module/dbcsr_api_c.html b/develop/module/dbcsr_api_c.html index d7b37c8152c..b5c1a34277b 100644 --- a/develop/module/dbcsr_api_c.html +++ b/develop/module/dbcsr_api_c.html @@ -152,7 +152,7 @@

    Subroutines

    @@ -1192,7 +1192,7 @@

    Subroutines

    -

    private subroutine c_f_string(c_str, str) +

    private subroutine c_f_string(c_str, str)

    @@ -1211,7 +1211,7 @@

    Arguments

    @@ -1226,7 +1226,7 @@

    Arguments

    @@ -1279,7 +1279,7 @@

    Arguments

    @@ -1294,7 +1294,7 @@

    Arguments

    @@ -1347,7 +1347,7 @@

    Arguments

    @@ -1442,7 +1442,7 @@

    Arguments

    @@ -1482,7 +1482,7 @@

    Arguments

    @@ -1497,7 +1497,7 @@

    Arguments

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    diff --git a/develop/module/dbcsr_array_list_methods.html b/develop/module/dbcsr_array_list_methods.html index 2e3432ce099..6745d7edb14 100644 --- a/develop/module/dbcsr_array_list_methods.html +++ b/develop/module/dbcsr_array_list_methods.html @@ -113,7 +113,7 @@

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    diff --git a/develop/module/dbcsr_array_sort.html b/develop/module/dbcsr_array_sort.html index 9db7f71f09f..ce1d7a027a0 100644 --- a/develop/module/dbcsr_array_sort.html +++ b/develop/module/dbcsr_array_sort.html @@ -114,7 +114,7 @@

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    diff --git a/develop/module/dbcsr_array_types.html b/develop/module/dbcsr_array_types.html index c91fc04445f..cd29b01aa5b 100644 --- a/develop/module/dbcsr_array_types.html +++ b/develop/module/dbcsr_array_types.html @@ -245,7 +245,7 @@

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    diff --git a/develop/module/dbcsr_base_hooks.html b/develop/module/dbcsr_base_hooks.html index e825b00e174..c705c719d28 100644 --- a/develop/module/dbcsr_base_hooks.html +++ b/develop/module/dbcsr_base_hooks.html @@ -195,8 +195,8 @@

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    diff --git a/develop/module/dbcsr_blas_operations.html b/develop/module/dbcsr_blas_operations.html index a08ddeebcd6..9c363b2aba8 100644 --- a/develop/module/dbcsr_blas_operations.html +++ b/develop/module/dbcsr_blas_operations.html @@ -113,7 +113,7 @@

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    @@ -189,7 +189,7 @@

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    @@ -241,7 +241,7 @@

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    diff --git a/develop/module/dbcsr_block_access.html b/develop/module/dbcsr_block_access.html index 52a99427da2..7e4b8cc3da3 100644 --- a/develop/module/dbcsr_block_access.html +++ b/develop/module/dbcsr_block_access.html @@ -113,9 +113,9 @@

    Variables

    - moduleN - careful_mod - debug_mod + moduleN + careful_mod + debug_mod rpslot_owner rpslot_addblks rpslot_addoffset @@ -141,9 +141,9 @@

    Interfaces

    @@ -174,33 +174,33 @@

    Subroutines

    dbcsr_remove_block dbcsr_get_block_p_area dbcsr_put_block_area - dbcsr_reserve_all_blocks - dbcsr_reserve_diag_blocks - dbcsr_reserve_blocks + dbcsr_reserve_all_blocks + dbcsr_reserve_diag_blocks + dbcsr_reserve_blocks dbcsr_set_block_pointer_any - dbcsr_get_2d_block_p_d - dbcsr_get_block_p_d - dbcsr_reserve_block2d_d - dbcsr_put_block2d_d - dbcsr_put_block_d + dbcsr_get_2d_block_p_d + dbcsr_get_block_p_d + dbcsr_reserve_block2d_d + dbcsr_put_block2d_d + dbcsr_put_block_d dbcsr_set_block_pointer_2d_d - dbcsr_get_2d_block_p_s - dbcsr_get_block_p_s - dbcsr_reserve_block2d_s - dbcsr_put_block2d_s - dbcsr_put_block_s + dbcsr_get_2d_block_p_s + dbcsr_get_block_p_s + dbcsr_reserve_block2d_s + dbcsr_put_block2d_s + dbcsr_put_block_s dbcsr_set_block_pointer_2d_s - dbcsr_get_2d_block_p_z - dbcsr_get_block_p_z - dbcsr_reserve_block2d_z - dbcsr_put_block2d_z - dbcsr_put_block_z + dbcsr_get_2d_block_p_z + dbcsr_get_block_p_z + dbcsr_reserve_block2d_z + dbcsr_put_block2d_z + dbcsr_put_block_z dbcsr_set_block_pointer_2d_z - dbcsr_get_2d_block_p_c - dbcsr_get_block_p_c - dbcsr_reserve_block2d_c - dbcsr_put_block2d_c - dbcsr_put_block_c + dbcsr_get_2d_block_p_c + dbcsr_get_block_p_c + dbcsr_reserve_block2d_c + dbcsr_put_block2d_c + dbcsr_put_block_c dbcsr_set_block_pointer_2d_c
    @@ -227,22 +227,22 @@

    Uses

    @@ -267,7 +267,7 @@

    Variables

    @@ -284,7 +284,7 @@

    Variables

    @@ -301,7 +301,7 @@

    Variables

    @@ -463,14 +463,14 @@

    Variables

    Interfaces

    - -

    public interface dbcsr_get_block_p + +

    public interface dbcsr_get_block_p

    • - private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

      @@ -489,7 +489,7 @@

      Arguments

    @@ -504,7 +504,7 @@

    Arguments

    @@ -520,7 +520,7 @@

    Arguments

    @@ -536,7 +536,7 @@

    Arguments

    @@ -551,7 +551,7 @@

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    @@ -566,7 +566,7 @@

    Arguments

    @@ -581,7 +581,7 @@

    Arguments

    @@ -597,7 +597,7 @@

    Arguments

    @@ -618,7 +618,7 @@

    Arguments

  • - private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -637,7 +637,7 @@

    Arguments

    • @@ -652,7 +652,7 @@

    Arguments

    @@ -668,7 +668,7 @@

    Arguments

    @@ -684,7 +684,7 @@

    Arguments

    @@ -699,7 +699,7 @@

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    @@ -714,7 +714,7 @@

    Arguments

    @@ -729,7 +729,7 @@

    Arguments

    @@ -745,7 +745,7 @@

    Arguments

    @@ -766,7 +766,7 @@

    Arguments

  • - private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -785,7 +785,7 @@

    Arguments

    • @@ -800,7 +800,7 @@

    Arguments

    @@ -816,7 +816,7 @@

    Arguments

    @@ -832,7 +832,7 @@

    Arguments

    @@ -847,7 +847,7 @@

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    @@ -862,7 +862,7 @@

    Arguments

    @@ -877,7 +877,7 @@

    Arguments

    @@ -893,7 +893,7 @@

    Arguments

    @@ -914,7 +914,7 @@

    Arguments

  • - private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -933,7 +933,7 @@

    Arguments

    • @@ -948,7 +948,7 @@

    Arguments

    @@ -964,7 +964,7 @@

    Arguments

    @@ -980,7 +980,7 @@

    Arguments

    @@ -995,7 +995,7 @@

    Arguments

    @@ -1010,7 +1010,7 @@

    Arguments

    @@ -1025,7 +1025,7 @@

    Arguments

    @@ -1041,7 +1041,7 @@

    Arguments

    @@ -1062,7 +1062,7 @@

    Arguments

  • - private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -1081,7 +1081,7 @@

    Arguments

    • @@ -1096,7 +1096,7 @@

    Arguments

    @@ -1112,7 +1112,7 @@

    Arguments

    @@ -1128,7 +1128,7 @@

    Arguments

    @@ -1143,7 +1143,7 @@

    Arguments

    @@ -1158,7 +1158,7 @@

    Arguments

    @@ -1173,7 +1173,7 @@

    Arguments

    @@ -1189,7 +1189,7 @@

    Arguments

    @@ -1210,7 +1210,7 @@

    Arguments

  • - private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -1229,7 +1229,7 @@

    Arguments

    • @@ -1244,7 +1244,7 @@

    Arguments

    @@ -1260,7 +1260,7 @@

    Arguments

    @@ -1276,7 +1276,7 @@

    Arguments

    @@ -1291,7 +1291,7 @@

    Arguments

    @@ -1306,7 +1306,7 @@

    Arguments

    @@ -1321,7 +1321,7 @@

    Arguments

    @@ -1337,7 +1337,7 @@

    Arguments

    @@ -1358,7 +1358,7 @@

    Arguments

  • - private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -1377,7 +1377,7 @@

    Arguments

    • @@ -1392,7 +1392,7 @@

    Arguments

    @@ -1408,7 +1408,7 @@

    Arguments

    @@ -1424,7 +1424,7 @@

    Arguments

    @@ -1439,7 +1439,7 @@

    Arguments

    @@ -1454,7 +1454,7 @@

    Arguments

    @@ -1469,7 +1469,7 @@

    Arguments

    @@ -1485,7 +1485,7 @@

    Arguments

    @@ -1506,7 +1506,7 @@

    Arguments

  • - private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, found, row_size, col_size) + private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -1525,7 +1525,7 @@

    Arguments

    • @@ -1540,7 +1540,7 @@

    Arguments

    @@ -1556,7 +1556,7 @@

    Arguments

    @@ -1572,7 +1572,7 @@

    Arguments

    @@ -1587,7 +1587,7 @@

    Arguments

    @@ -1602,7 +1602,7 @@

    Arguments

    @@ -1617,7 +1617,7 @@

    Arguments

    @@ -1633,7 +1633,7 @@

    Arguments

    @@ -1676,7 +1676,7 @@

    Arguments

    @@ -1691,7 +1691,7 @@

    Arguments

    @@ -1707,7 +1707,7 @@

    Arguments

    @@ -1723,7 +1723,7 @@

    Arguments

    @@ -1738,7 +1738,7 @@

    Arguments

    @@ -1754,7 +1754,7 @@

    Arguments

    @@ -1770,7 +1770,7 @@

    Arguments

    @@ -1786,7 +1786,7 @@

    Arguments

    @@ -1810,8 +1810,8 @@

    Arguments

    - -

    public interface dbcsr_put_block + +

    public interface dbcsr_put_block

      @@ -1839,7 +1839,7 @@

      Arguments

    @@ -1854,7 +1854,7 @@

    Arguments

    @@ -1869,7 +1869,7 @@

    Arguments

    @@ -1884,7 +1884,7 @@

    Arguments

    @@ -1914,7 +1914,7 @@

    Arguments

    @@ -1929,7 +1929,7 @@

    Arguments

    @@ -1944,7 +1944,7 @@

    Arguments

    @@ -1959,7 +1959,7 @@

    Arguments

    @@ -1979,7 +1979,7 @@

    Arguments

  • - private subroutine dbcsr_put_block_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) + private subroutine dbcsr_put_block_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -2000,7 +2000,7 @@

    Arguments

    • @@ -2015,7 +2015,7 @@

    Arguments

    @@ -2031,7 +2031,7 @@

    Arguments

    @@ -2047,7 +2047,7 @@

    Arguments

    @@ -2077,7 +2077,7 @@

    Arguments

    @@ -2093,7 +2093,7 @@

    Arguments

    @@ -2109,7 +2109,7 @@

    Arguments

    @@ -2124,7 +2124,7 @@

    Arguments

    @@ -2144,7 +2144,7 @@

    Arguments

  • - private subroutine dbcsr_put_block_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) + private subroutine dbcsr_put_block_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -2165,7 +2165,7 @@

    Arguments

    • @@ -2180,7 +2180,7 @@

    Arguments

    @@ -2196,7 +2196,7 @@

    Arguments

    @@ -2212,7 +2212,7 @@

    Arguments

    @@ -2242,7 +2242,7 @@

    Arguments

    @@ -2258,7 +2258,7 @@

    Arguments

    @@ -2274,7 +2274,7 @@

    Arguments

    @@ -2289,7 +2289,7 @@

    Arguments

    @@ -2309,7 +2309,7 @@

    Arguments

  • - private subroutine dbcsr_put_block_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) + private subroutine dbcsr_put_block_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -2330,7 +2330,7 @@

    Arguments

    • @@ -2345,7 +2345,7 @@

    Arguments

    @@ -2361,7 +2361,7 @@

    Arguments

    @@ -2377,7 +2377,7 @@

    Arguments

    @@ -2407,7 +2407,7 @@

    Arguments

    @@ -2423,7 +2423,7 @@

    Arguments

    @@ -2439,7 +2439,7 @@

    Arguments

    @@ -2454,7 +2454,7 @@

    Arguments

    @@ -2474,7 +2474,7 @@

    Arguments

  • - private subroutine dbcsr_put_block_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) + private subroutine dbcsr_put_block_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -2495,7 +2495,7 @@

    Arguments

    • @@ -2510,7 +2510,7 @@

    Arguments

    @@ -2526,7 +2526,7 @@

    Arguments

    @@ -2542,7 +2542,7 @@

    Arguments

    @@ -2572,7 +2572,7 @@

    Arguments

    @@ -2588,7 +2588,7 @@

    Arguments

    @@ -2604,7 +2604,7 @@

    Arguments

    @@ -2619,7 +2619,7 @@

    Arguments

    @@ -2639,7 +2639,7 @@

    Arguments

  • - private subroutine dbcsr_put_block2d_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) + private subroutine dbcsr_put_block2d_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -2658,7 +2658,7 @@

    Arguments

    • @@ -2673,7 +2673,7 @@

    Arguments

    @@ -2689,7 +2689,7 @@

    Arguments

    @@ -2705,7 +2705,7 @@

    Arguments

    @@ -2735,7 +2735,7 @@

    Arguments

    @@ -2751,7 +2751,7 @@

    Arguments

    @@ -2767,7 +2767,7 @@

    Arguments

    @@ -2782,7 +2782,7 @@

    Arguments

    @@ -2802,7 +2802,7 @@

    Arguments

  • - private subroutine dbcsr_put_block2d_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) + private subroutine dbcsr_put_block2d_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -2821,7 +2821,7 @@

    Arguments

    • @@ -2836,7 +2836,7 @@

    Arguments

    @@ -2852,7 +2852,7 @@

    Arguments

    @@ -2868,7 +2868,7 @@

    Arguments

    @@ -2898,7 +2898,7 @@

    Arguments

    @@ -2914,7 +2914,7 @@

    Arguments

    @@ -2930,7 +2930,7 @@

    Arguments

    @@ -2945,7 +2945,7 @@

    Arguments

    @@ -2965,7 +2965,7 @@

    Arguments

  • - private subroutine dbcsr_put_block2d_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) + private subroutine dbcsr_put_block2d_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -2984,7 +2984,7 @@

    Arguments

    • @@ -2999,7 +2999,7 @@

    Arguments

    @@ -3015,7 +3015,7 @@

    Arguments

    @@ -3031,7 +3031,7 @@

    Arguments

    @@ -3061,7 +3061,7 @@

    Arguments

    @@ -3077,7 +3077,7 @@

    Arguments

    @@ -3093,7 +3093,7 @@

    Arguments

    @@ -3108,7 +3108,7 @@

    Arguments

    @@ -3128,7 +3128,7 @@

    Arguments

  • - private subroutine dbcsr_put_block2d_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) + private subroutine dbcsr_put_block2d_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -3147,7 +3147,7 @@

    Arguments

    • @@ -3162,7 +3162,7 @@

    Arguments

    @@ -3178,7 +3178,7 @@

    Arguments

    @@ -3194,7 +3194,7 @@

    Arguments

    @@ -3224,7 +3224,7 @@

    Arguments

    @@ -3240,7 +3240,7 @@

    Arguments

    @@ -3256,7 +3256,7 @@

    Arguments

    @@ -3271,7 +3271,7 @@

    Arguments

    @@ -3294,14 +3294,14 @@

    Arguments

    - -

    public interface dbcsr_reserve_block2d + +

    public interface dbcsr_reserve_block2d

    @@ -3335,7 +3335,7 @@

    Arguments

    @@ -3351,7 +3351,7 @@

    Arguments

    @@ -3367,7 +3367,7 @@

    Arguments

    @@ -3382,7 +3382,7 @@

    Arguments

    @@ -3397,7 +3397,7 @@

    Arguments

    @@ -3417,7 +3417,7 @@

    Arguments

  • - private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed) + private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed)

    @@ -3436,7 +3436,7 @@

    Arguments

    • @@ -3451,7 +3451,7 @@

    Arguments

    @@ -3467,7 +3467,7 @@

    Arguments

    @@ -3483,7 +3483,7 @@

    Arguments

    @@ -3498,7 +3498,7 @@

    Arguments

    @@ -3513,7 +3513,7 @@

    Arguments

    @@ -3533,7 +3533,7 @@

    Arguments

  • - private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transposed, existed) + private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transposed, existed)

    @@ -3552,7 +3552,7 @@

    Arguments

    • @@ -3567,7 +3567,7 @@

    Arguments

    @@ -3583,7 +3583,7 @@

    Arguments

    @@ -3599,7 +3599,7 @@

    Arguments

    @@ -3614,7 +3614,7 @@

    Arguments

    @@ -3629,7 +3629,7 @@

    Arguments

    @@ -3649,7 +3649,7 @@

    Arguments

  • - private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transposed, existed) + private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transposed, existed)

    @@ -3668,7 +3668,7 @@

    Arguments

    • @@ -3683,7 +3683,7 @@

    Arguments

    @@ -3699,7 +3699,7 @@

    Arguments

    @@ -3715,7 +3715,7 @@

    Arguments

    @@ -3730,7 +3730,7 @@

    Arguments

    @@ -3745,7 +3745,7 @@

    Arguments

    @@ -3794,7 +3794,7 @@

    Arguments

    @@ -3910,7 +3910,7 @@

    Arguments

    @@ -4011,7 +4011,7 @@

    Arguments

    @@ -4112,7 +4112,7 @@

    Arguments

    @@ -4213,7 +4213,7 @@

    Arguments

    @@ -4327,7 +4327,7 @@

    Components

    @@ -4378,7 +4378,7 @@

    Components

    @@ -4395,7 +4395,7 @@

    Components

    @@ -4495,7 +4495,7 @@

    Components

    @@ -4529,7 +4529,7 @@

    Components

    @@ -4597,7 +4597,7 @@

    Arguments

    @@ -4612,7 +4612,7 @@

    Arguments

    @@ -4628,7 +4628,7 @@

    Arguments

    @@ -4660,7 +4660,7 @@

    Arguments

    @@ -4700,7 +4700,7 @@

    Arguments

    @@ -4715,7 +4715,7 @@

    Arguments

    @@ -4731,7 +4731,7 @@

    Arguments

    @@ -4747,7 +4747,7 @@

    Arguments

    @@ -4762,7 +4762,7 @@

    Arguments

    @@ -4778,7 +4778,7 @@

    Arguments

    @@ -4794,7 +4794,7 @@

    Arguments

    @@ -4810,7 +4810,7 @@

    Arguments

    @@ -4854,7 +4854,7 @@

    Arguments

    @@ -4869,7 +4869,7 @@

    Arguments

    @@ -4884,7 +4884,7 @@

    Arguments

    @@ -4899,7 +4899,7 @@

    Arguments

    @@ -4929,7 +4929,7 @@

    Arguments

    @@ -4944,7 +4944,7 @@

    Arguments

    @@ -4959,7 +4959,7 @@

    Arguments

    @@ -4974,7 +4974,7 @@

    Arguments

    @@ -4995,7 +4995,7 @@

    Arguments

    -

    public subroutine dbcsr_reserve_all_blocks(matrix) +

    public subroutine dbcsr_reserve_all_blocks(matrix)

    @@ -5015,7 +5015,7 @@

    Arguments

    @@ -5036,7 +5036,7 @@

    Arguments

    -

    public subroutine dbcsr_reserve_diag_blocks(matrix) +

    public subroutine dbcsr_reserve_diag_blocks(matrix)

    @@ -5055,7 +5055,7 @@

    Arguments

    @@ -5076,11 +5076,11 @@

    Arguments

    -

    public subroutine dbcsr_reserve_blocks(matrix, rows, columns, blk_pointers) +

    public subroutine dbcsr_reserve_blocks(matrix, rows, columns, blk_pointers)

    -

    Inserts block reservations into a matrix, avoiding the work matrix.

    Read more… +

    Inserts block reservations into a matrix, avoiding the work matrix.

    Read more…

    Arguments

    - - logical, - intent(inout) - - ::a -

    Logicals to swap -Logicals to swap

    -
    - - logical, + + integer, intent(inout)intent(inout), - + DIMENSION(2) ::barr -

    Logicals to swap -Logicals to swap

    +
    - + character(len=*), intent(in)
    - + integer, intent(out)
    - + integer, intent(in)
    c_f_stringdbcsr_tensor_api_cdbcsr_api_c Subroutine
    c_f_stringdbcsr_api_cdbcsr_tensor_api_c Subroutine
    dbcsr_adddbcsr_operationsdbcsr_api Interface
    dbcsr_adddbcsr_apidbcsr_operations Interface
    dbcsr_add_block_nodedbcsr_operationsdbcsr_api Subroutine

    Emulation of sparse_matrix_types/add_block_node mapped to add_real_matrix_block.... should not be used any longer @@ -4040,7 +4040,7 @@

    Procedures

    dbcsr_add_block_nodedbcsr_apidbcsr_operations Subroutine

    Emulation of sparse_matrix_types/add_block_node mapped to add_real_matrix_block.... should not be used any longer @@ -4049,27 +4049,27 @@

    Procedures

    dbcsr_add_cdbcsr_operationsdbcsr_api Subroutine
    dbcsr_add_cdbcsr_apidbcsr_operations Subroutine
    dbcsr_add_ddbcsr_operationsdbcsr_api Subroutine

    Interface for dbcsr_add
    dbcsr_add_ddbcsr_apidbcsr_operations Subroutine

    Interface for dbcsr_add
    dbcsr_add_default_logger
    dbcsr_add_on_diagdbcsr_operationsdbcsr_api Interface
    dbcsr_add_on_diagdbcsr_apidbcsr_operations Interface
    dbcsr_add_on_diag_cdbcsr_operationsSubroutine

    add a constant to the diagonal of a matrix

    dbcsr_add_on_diag_c dbcsr_api Subroutine
    dbcsr_add_on_diag_ddbcsr_add_on_diag_c dbcsr_operations Subroutine

    add a constant to the diagonal of a matrix
    dbcsr_add_on_diag_ddbcsr_add_on_diag_d dbcsr_api Subroutine
    dbcsr_add_on_diag_dsdbcsr_add_on_diag_d dbcsr_operations Subroutine

    add a constant to the diagonal of a matrix
    dbcsr_add_on_diag_sdbcsr_add_on_diag_ds dbcsr_operations Subroutine

    add a constant to the diagonal of a matrix
    dbcsr_add_on_diag_sdbcsr_add_on_diag_s dbcsr_api Subroutine
    dbcsr_add_on_diag_zdbcsr_add_on_diag_s dbcsr_operations Subroutine

    add a constant to the diagonal of a matrix
    dbcsr_add_on_diag_zdbcsr_add_on_diag_z dbcsr_api Subroutine
    dbcsr_add_sdbcsr_add_on_diag_z dbcsr_operations Subroutine

    add a constant to the diagonal of a matrix

    dbcsr_add_sdbcsr_apiSubroutine
    dbcsr_add_sdbcsr_apidbcsr_operations Subroutine
    dbcsr_add_zdbcsr_operationsdbcsr_api Subroutine
    dbcsr_add_zdbcsr_apidbcsr_operations Subroutine
    dbcsr_binary_readdbcsr_apiSubroutine
    dbcsr_binary_read dbcsr_io Subroutine

    Reads a DBCSR matrix from a file
    dbcsr_binary_readdbcsr_binary_write dbcsr_api Subroutine
    dbcsr_binary_writedbcsr_binary_write dbcsr_io Subroutine

    Writes a DBCSR matrix in a file @@ -4224,12 +4230,6 @@

    Procedures

    col_i (length = nblks), blk_p (length = nblks); and the file's body contains the block data

    dbcsr_binary_writedbcsr_apiSubroutine
    dbcsr_blk_col_offset
    dbcsr_cleardbcsr_operationsdbcsr_api Subroutine

    Clear a matrix (remove all blocks)

    Clear a matrix
    dbcsr_cleardbcsr_apidbcsr_operations Subroutine

    Clear a matrix

    Clear a matrix (remove all blocks)
    dbcsr_clear_mempools
    dbcsr_copydbcsr_operationsdbcsr_api Subroutine

    copy a matrix
    dbcsr_copydbcsr_apidbcsr_operations Subroutine

    copy a matrix
    dbcsr_copy_into_existingdbcsr_operationsdbcsr_api Subroutine

    copy a matrix, retaining current sparsity
    dbcsr_copy_into_existingdbcsr_apidbcsr_operations Subroutine

    copy a matrix, retaining current sparsity
    dbcsr_copy_into_existing_sym
    dbcsr_distribution_getdbcsr_dist_methodsdbcsr_api Subroutine

    Get distribution parameters
    dbcsr_distribution_getdbcsr_apidbcsr_dist_methods Subroutine

    Get distribution parameters
    dbcsr_distribution_get_num_images_1d
    dbcsr_distribution_holddbcsr_dist_methodsdbcsr_api Subroutine

    Marks another use of the distribution
    dbcsr_distribution_holddbcsr_apidbcsr_dist_methods Subroutine

    Marks another use of the distribution
    dbcsr_distribution_local_cols dbcsr_dist_methods Function
    dbcsr_distribution_newdbcsr_dist_methodsInterface
    dbcsr_distribution_new dbcsr_api Subroutine

    Creates new distribution from blockr distributions

    dbcsr_distribution_newdbcsr_dist_methodsInterface
    dbcsr_distribution_new_low
    dbcsr_distribution_releasedbcsr_methodsdbcsr_api Subroutine

    Releases and potentially destroys a distribution
    dbcsr_distribution_releasedbcsr_apidbcsr_methods Subroutine

    Releases and potentially destroys a distribution
    dbcsr_distribution_row_dist
    dbcsr_dotdbcsr_operationsdbcsr_api Interface
    dbcsr_dotdbcsr_apidbcsr_operations Interface
    dbcsr_dot_cdbcsr_operationsSubroutine

    Dot product of DBCSR matrices

    dbcsr_dot_c dbcsr_api Subroutine
    dbcsr_dot_ddbcsr_dot_c dbcsr_operations Subroutine

    Dot product of DBCSR matrices
    dbcsr_dot_ddbcsr_dot_d dbcsr_api Subroutine
    dbcsr_dot_sdbcsr_dot_d dbcsr_operations Subroutine

    Dot product of DBCSR matrices
    dbcsr_dot_sdbcsr_dot_s dbcsr_api Subroutine
    dbcsr_dot_sdbcsr_operationsSubroutine

    Dot product of DBCSR matrices
    dbcsr_dot_sd
    dbcsr_dot_zdbcsr_operationsdbcsr_api Subroutine

    Dot product of DBCSR matrices
    dbcsr_dot_zdbcsr_apidbcsr_operations Subroutine

    Dot product of DBCSR matrices
    dbcsr_error_handling_setup Subroutine

    Fills index and data of the work matrix from the previously-finalized one.

    Read more…
    dbcsr_filterdbcsr_operationsInterface
    dbcsr_filter dbcsr_api Subroutine
    dbcsr_filterdbcsr_operationsInterface
    dbcsr_filter_anytype
    dbcsr_frobenius_normdbcsr_operationsdbcsr_api Function

    compute a norm of a dbcsr matrix
    dbcsr_frobenius_normdbcsr_apidbcsr_operations Function

    compute a norm of a dbcsr matrix
    dbcsr_function_of_elementsdbcsr_operationsdbcsr_api Subroutine

    Computes various functions (defined by func) of matrix elements

    Read more…
    dbcsr_function_of_elementsdbcsr_apidbcsr_operations Subroutine

    Computes various functions (defined by func) of matrix elements

    Read more…
    dbcsr_gatherv_any
    dbcsr_gershgorin_normdbcsr_operationsdbcsr_api Function

    compute a norm of a dbcsr matrix
    dbcsr_gershgorin_normdbcsr_apidbcsr_operations Function

    compute a norm of a dbcsr matrix
    dbcsr_get_2d_block_notrans_p_c
    dbcsr_get_2d_block_p_cdbcsr_apiSubroutine
    dbcsr_get_2d_block_p_c dbcsr_block_access Subroutine

    Gets a 2-d block from a dbcsr matrix
    dbcsr_get_2d_block_p_cdbcsr_get_2d_block_p_d dbcsr_api Subroutine
    dbcsr_get_2d_block_p_ddbcsr_get_2d_block_p_d dbcsr_block_access Subroutine

    Gets a 2-d block from a dbcsr matrix
    dbcsr_get_2d_block_p_ddbcsr_get_2d_block_p_s dbcsr_api Subroutine
    dbcsr_get_2d_block_p_sdbcsr_get_2d_block_p_s dbcsr_block_access Subroutine

    Gets a 2-d block from a dbcsr matrix
    dbcsr_get_2d_block_p_sdbcsr_get_2d_block_p_z dbcsr_api Subroutine
    dbcsr_get_2d_block_p_zdbcsr_get_2d_block_p_z dbcsr_block_access Subroutine

    Gets a 2-d block from a dbcsr matrix
    dbcsr_get_2d_block_p_zdbcsr_get_block_diag dbcsr_api Subroutine
    dbcsr_get_block_diagdbcsr_get_block_diag dbcsr_operations Subroutine

    get the diagonal of a dbcsr matrix

    dbcsr_get_block_diagdbcsr_apiSubroutine
    dbcsr_get_block_index
    dbcsr_get_block_pdbcsr_block_accessdbcsr_api Interface
    dbcsr_get_block_pdbcsr_apidbcsr_block_access Interface
    dbcsr_get_block_p_cdbcsr_block_accessSubroutine

    Gets a 1-d block from a dbcsr matrix

    dbcsr_get_block_p_c dbcsr_api Subroutine
    dbcsr_get_block_p_ddbcsr_get_block_p_c dbcsr_block_access Subroutine

    Gets a 1-d block from a dbcsr matrix
    dbcsr_get_block_p_ddbcsr_get_block_p_d dbcsr_api Subroutine
    dbcsr_get_block_p_sdbcsr_get_block_p_d dbcsr_block_access Subroutine

    Gets a 1-d block from a dbcsr matrix
    dbcsr_get_block_p_sdbcsr_get_block_p_s dbcsr_api Subroutine
    dbcsr_get_block_p_zdbcsr_get_block_p_s dbcsr_block_access Subroutine

    Gets a 1-d block from a dbcsr matrix
    dbcsr_get_block_p_zdbcsr_get_block_p_z dbcsr_api Subroutine
    dbcsr_get_block_p_zdbcsr_block_accessSubroutine

    Gets a 1-d block from a dbcsr matrix
    dbcsr_get_data
    dbcsr_get_data_sizedbcsr_methodsdbcsr_api Function

    Returns the allocated data size of a DBCSR matrix
    dbcsr_get_data_sizedbcsr_apidbcsr_methods Function

    Returns the allocated data size of a DBCSR matrix
    dbcsr_get_data_size_used
    dbcsr_get_data_typedbcsr_methodsdbcsr_api Function

    Returns the data type stored in the matrix
    dbcsr_get_data_typedbcsr_apidbcsr_methods Function

    Returns the data type stored in the matrix
    dbcsr_get_data_z
    dbcsr_get_diagdbcsr_operationsdbcsr_api Interface
    dbcsr_get_diagdbcsr_apidbcsr_operations Interface
    dbcsr_get_diag_cdbcsr_operationsdbcsr_api Subroutine
    dbcsr_get_diag_cdbcsr_apidbcsr_operations Subroutine
    dbcsr_get_diag_ddbcsr_operationsdbcsr_api Subroutine
    dbcsr_get_diag_ddbcsr_apidbcsr_operations Subroutine
    dbcsr_get_diag_sdbcsr_operationsdbcsr_api Subroutine
    dbcsr_get_diag_sdbcsr_apidbcsr_operations Subroutine
    dbcsr_get_diag_zdbcsr_operationsdbcsr_api Subroutine
    dbcsr_get_diag_zdbcsr_apidbcsr_operations Subroutine
    dbcsr_get_infodbcsr_operationsdbcsr_api Subroutine

    Gets information about a matrix
    dbcsr_get_infodbcsr_apidbcsr_operations Subroutine

    Gets information about a matrix
    dbcsr_get_local_cols
    dbcsr_get_matrix_typedbcsr_methodsdbcsr_api Function

    Returns the matrix type
    dbcsr_get_matrix_typedbcsr_apidbcsr_methods Function

    Returns the matrix type
    dbcsr_get_num_blocksdbcsr_methodsdbcsr_api Function

    Returns the number of blocks in the matrix
    dbcsr_get_num_blocksdbcsr_apidbcsr_methods Function

    Returns the number of blocks in the matrix
    dbcsr_get_nze
    dbcsr_get_occupationdbcsr_operationsdbcsr_api Function

    Returns the occupation of the matrix
    dbcsr_get_occupationdbcsr_apidbcsr_operations Function

    Returns the occupation of the matrix
    dbcsr_get_replication_type
    dbcsr_hadamard_productdbcsr_operationsdbcsr_api Subroutine

    Hadamard product -C = A . B (C needs to be different from A and B)
    dbcsr_hadamard_productdbcsr_apidbcsr_operations Subroutine

    Hadamard product +C = A . B (C needs to be different from A and B)
    dbcsr_has_local_row_index
    dbcsr_has_symmetrydbcsr_methodsdbcsr_api Function

    Whether matrix has symmetry
    dbcsr_has_symmetrydbcsr_apidbcsr_methods Function

    Whether matrix has symmetry
    dbcsr_heap_copy_node
    dbcsr_init_randomdbcsr_operationsdbcsr_api Subroutine

    ... TODO : unify with other version which is generic in the data_type
    dbcsr_init_randomdbcsr_apidbcsr_operations Subroutine

    ... TODO : unify with other version which is generic in the data_type
    dbcsr_init_wm
    dbcsr_maxabsdbcsr_operationsdbcsr_api Function

    compute a norm of a dbcsr matrix
    dbcsr_maxabsdbcsr_apidbcsr_operations Function

    compute a norm of a dbcsr matrix
    dbcsr_may_be_dense
    dbcsr_multiplydbcsr_multiply_apidbcsr_api Interface
    dbcsr_multiplydbcsr_apidbcsr_multiply_api Interface
    dbcsr_multiply_cdbcsr_multiply_apidbcsr_api Subroutine
    dbcsr_multiply_cdbcsr_apidbcsr_multiply_api Subroutine
    dbcsr_multiply_ddbcsr_multiply_apidbcsr_api Subroutine
    dbcsr_multiply_ddbcsr_apidbcsr_multiply_api Subroutine
    dbcsr_multiply_sdbcsr_multiply_apidbcsr_api Subroutine
    dbcsr_multiply_sdbcsr_apidbcsr_multiply_api Subroutine
    dbcsr_multiply_zdbcsr_multiply_apidbcsr_api Subroutine
    dbcsr_multiply_zdbcsr_apidbcsr_multiply_api Subroutine
    dbcsr_nblkcols_localdbcsr_methodsdbcsr_api Function
    dbcsr_nblkcols_localdbcsr_apidbcsr_methods Function
    dbcsr_nblkcols_totaldbcsr_methodsdbcsr_api Function
    dbcsr_nblkcols_totaldbcsr_apidbcsr_methods Function
    dbcsr_nblkrows_localdbcsr_methodsdbcsr_api Function
    dbcsr_nblkrows_localdbcsr_apidbcsr_methods Function
    dbcsr_nblkrows_totaldbcsr_methodsdbcsr_api Function
    dbcsr_nblkrows_totaldbcsr_apidbcsr_methods Function
    dbcsr_nfullcols_totaldbcsr_methodsdbcsr_api Function
    dbcsr_nfullcols_totaldbcsr_apidbcsr_methods Function
    dbcsr_nfullrows_totaldbcsr_methodsdbcsr_api Function
    dbcsr_nfullrows_totaldbcsr_apidbcsr_methods Function
    dbcsr_norm_r8_vecdbcsr_operationsdbcsr_api Subroutine
    dbcsr_norm_r8_vecdbcsr_apidbcsr_operations Subroutine
    dbcsr_norm_scalardbcsr_operationsdbcsr_api Subroutine

    compute a norm of a dbcsr matrix
    dbcsr_norm_scalardbcsr_apidbcsr_operations Subroutine

    compute a norm of a dbcsr matrix
    dbcsr_norm_vec
    dbcsr_printdbcsr_iodbcsr_api Subroutine

    Prints a BCSR matrix (block-style, not full)
    dbcsr_printdbcsr_apidbcsr_io Subroutine

    Prints a BCSR matrix (block-style, not full)
    dbcsr_print_block_sumdbcsr_iodbcsr_api Subroutine

    Prints the sum of the elements for each block

    Prints the sum of the elements in each block
    dbcsr_print_block_sumdbcsr_apidbcsr_io Subroutine

    Prints the sum of the elements in each block

    Prints the sum of the elements for each block
    dbcsr_print_config
    dbcsr_put_blockdbcsr_block_accessdbcsr_api Interface
    dbcsr_put_blockdbcsr_apidbcsr_block_access Interface
    dbcsr_put_block2d_cdbcsr_block_accessSubroutine

    Put a 2-D block in a DBCSR matrix

    dbcsr_put_block2d_c dbcsr_api Subroutine
    dbcsr_put_block2d_ddbcsr_put_block2d_c dbcsr_block_access Subroutine

    Put a 2-D block in a DBCSR matrix
    dbcsr_put_block2d_ddbcsr_put_block2d_d dbcsr_api Subroutine
    dbcsr_put_block2d_sdbcsr_put_block2d_d dbcsr_block_access Subroutine

    Put a 2-D block in a DBCSR matrix
    dbcsr_put_block2d_sdbcsr_put_block2d_s dbcsr_api Subroutine
    dbcsr_put_block2d_zdbcsr_put_block2d_s dbcsr_block_access Subroutine

    Put a 2-D block in a DBCSR matrix
    dbcsr_put_block2d_zdbcsr_put_block2d_z dbcsr_api Subroutine
    dbcsr_put_block2d_zdbcsr_block_accessSubroutine

    Put a 2-D block in a DBCSR matrix
    dbcsr_put_block_area
    dbcsr_put_block_cdbcsr_block_accessSubroutine

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more…
    dbcsr_put_block_c dbcsr_api Subroutine
    dbcsr_put_block_ddbcsr_put_block_c dbcsr_block_access Subroutine

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more…
    dbcsr_put_block_ddbcsr_put_block_d dbcsr_api Subroutine
    dbcsr_put_block_sdbcsr_put_block_d dbcsr_block_access Subroutine

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more…
    dbcsr_put_block_sdbcsr_put_block_s dbcsr_api Subroutine
    dbcsr_put_block_zdbcsr_put_block_s dbcsr_block_access Subroutine

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more…
    dbcsr_put_block_zdbcsr_put_block_z dbcsr_api Subroutine
    dbcsr_put_block_zdbcsr_block_accessSubroutine

    Inserts a block in a dbcsr matrix. + If the block exists, the current data is overwritten.

    Read more…
    dbcsr_random_dist
    dbcsr_releasedbcsr_methodsdbcsr_api Subroutine

    Releases a reference for a DBCSR matrix -If there are no references left, the matrix is destroyed.
    dbcsr_releasedbcsr_apidbcsr_methods Subroutine

    Releases a reference for a DBCSR matrix +If there are no references left, the matrix is destroyed.
    dbcsr_release_locals
    dbcsr_reserve_all_blocksdbcsr_apiSubroutine
    dbcsr_reserve_all_blocks dbcsr_block_access Subroutine

    Inserts all blocks of a dbcsr matrix to make it a full matrix. Thus obviously not linear scaling.
    dbcsr_reserve_all_blocksdbcsr_reserve_block2d dbcsr_apiSubroutineInterface
    dbcsr_reserve_block2ddbcsr_reserve_block2d dbcsr_block_access Interface
    dbcsr_reserve_block2ddbcsr_reserve_block2d_c dbcsr_apiInterfaceSubroutine
    dbcsr_reserve_block2d_cdbcsr_reserve_block2d_c dbcsr_block_access Subroutine

    Put a 2-D block in a DBCSR matrix using the btree
    dbcsr_reserve_block2d_cdbcsr_reserve_block2d_d dbcsr_api Subroutine
    dbcsr_reserve_block2d_ddbcsr_reserve_block2d_d dbcsr_block_access Subroutine

    Put a 2-D block in a DBCSR matrix using the btree
    dbcsr_reserve_block2d_ddbcsr_reserve_block2d_s dbcsr_api Subroutine
    dbcsr_reserve_block2d_sdbcsr_reserve_block2d_s dbcsr_block_access Subroutine

    Put a 2-D block in a DBCSR matrix using the btree
    dbcsr_reserve_block2d_sdbcsr_reserve_block2d_z dbcsr_api Subroutine
    dbcsr_reserve_block2d_zdbcsr_reserve_block2d_z dbcsr_block_access Subroutine

    Put a 2-D block in a DBCSR matrix using the btree
    dbcsr_reserve_block2d_zdbcsr_reserve_blocks dbcsr_api Subroutine
    dbcsr_reserve_blocksdbcsr_reserve_blocks dbcsr_block_access Subroutine

    Inserts block reservations into a matrix, avoiding the work matrix.

    Read more…

    Inserts block reservations into a matrix, avoiding the work matrix.

    Read more…
    dbcsr_reserve_blocksdbcsr_reserve_diag_blocks dbcsr_api Subroutine
    dbcsr_reserve_diag_blocksdbcsr_reserve_diag_blocks dbcsr_block_access Subroutine

    Inserts diagonal blocks of a dbcsr matrix to make it a matrix with at least all diagonal blocks present

    dbcsr_reserve_diag_blocksdbcsr_apiSubroutine
    dbcsr_reset_locals
    dbcsr_scaledbcsr_operationsdbcsr_api Interface
    dbcsr_scaledbcsr_apidbcsr_operations Interface
    dbcsr_scale_by_vectordbcsr_operationsdbcsr_api Interface
    dbcsr_scale_by_vectordbcsr_apidbcsr_operations Interface
    dbcsr_scale_by_vector_cdbcsr_apiSubroutine
    dbcsr_scale_by_vector_c dbcsr_operations Subroutine

    Interface for matrix scaling by a vector
    dbcsr_scale_by_vector_cdbcsr_scale_by_vector_d dbcsr_api Subroutine
    dbcsr_scale_by_vector_ddbcsr_scale_by_vector_d dbcsr_operations Subroutine

    Interface for matrix scaling by a vector
    dbcsr_scale_by_vector_ddbcsr_scale_by_vector_s dbcsr_api Subroutine
    dbcsr_scale_by_vector_sdbcsr_scale_by_vector_s dbcsr_operations Subroutine

    Interface for matrix scaling by a vector
    dbcsr_scale_by_vector_sdbcsr_scale_by_vector_z dbcsr_api Subroutine
    dbcsr_scale_by_vector_zdbcsr_scale_by_vector_z dbcsr_operations Subroutine

    Interface for matrix scaling by a vector
    dbcsr_scale_by_vector_zdbcsr_scale_c dbcsr_api Subroutine
    dbcsr_scale_cdbcsr_scale_c dbcsr_operations Subroutine

    Interface for matrix scaling by a scalar
    dbcsr_scale_cdbcsr_scale_d dbcsr_api Subroutine
    dbcsr_scale_ddbcsr_scale_d dbcsr_operations Subroutine

    Interface for matrix scaling by a scalar
    dbcsr_scale_ddbcsr_scale_s dbcsr_api Subroutine
    dbcsr_scale_sdbcsr_scale_s dbcsr_operations Subroutine

    Interface for matrix scaling by a scalar
    dbcsr_scale_sdbcsr_scale_z dbcsr_api Subroutine
    dbcsr_scale_zdbcsr_scale_z dbcsr_operations Subroutine

    Interface for matrix scaling by a scalar

    dbcsr_scale_zdbcsr_apiSubroutine
    dbcsr_sendrecv_any
    dbcsr_setdbcsr_operationsdbcsr_api Interface
    dbcsr_setdbcsr_apidbcsr_operations Interface
    dbcsr_set_cdbcsr_operationsdbcsr_api Subroutine

    Interface for dbcsr_set
    dbcsr_set_cdbcsr_apidbcsr_operations Subroutine

    Interface for dbcsr_set
    dbcsr_set_config
    dbcsr_set_ddbcsr_operationsdbcsr_api Subroutine

    Interface for dbcsr_set
    dbcsr_set_ddbcsr_apidbcsr_operations Subroutine

    Interface for dbcsr_set
    dbcsr_set_diagdbcsr_operationsdbcsr_api Interface
    dbcsr_set_diagdbcsr_apidbcsr_operations Interface
    dbcsr_set_diag_cdbcsr_operationsdbcsr_api Subroutine
    dbcsr_set_diag_cdbcsr_apidbcsr_operations Subroutine
    dbcsr_set_diag_ddbcsr_operationsdbcsr_api Subroutine
    dbcsr_set_diag_ddbcsr_apidbcsr_operations Subroutine
    dbcsr_set_diag_sdbcsr_operationsdbcsr_api Subroutine
    dbcsr_set_diag_sdbcsr_apidbcsr_operations Subroutine
    dbcsr_set_diag_zdbcsr_operationsdbcsr_api Subroutine
    dbcsr_set_diag_zdbcsr_apidbcsr_operations Subroutine
    dbcsr_set_sdbcsr_operationsdbcsr_api Subroutine

    Interface for dbcsr_set
    dbcsr_set_sdbcsr_apidbcsr_operations Subroutine

    Interface for dbcsr_set
    dbcsr_set_work_size
    dbcsr_set_zdbcsr_operationsdbcsr_api Subroutine

    Interface for dbcsr_set
    dbcsr_set_zdbcsr_apidbcsr_operations Subroutine

    Interface for dbcsr_set
    dbcsr_setnamedbcsr_methodsdbcsr_api Subroutine
    dbcsr_setnamedbcsr_apidbcsr_methods Subroutine
    dbcsr_sum_replicateddbcsr_operationsdbcsr_api Subroutine

    Sums blocks in a replicated dbcsr matrix, which has the same structure on all ranks.
    dbcsr_sum_replicateddbcsr_apidbcsr_operations Subroutine

    Sums blocks in a replicated dbcsr matrix, which has the same structure on all ranks.
    dbcsr_switch
    dbcsr_tracedbcsr_operationsdbcsr_api Interface
    dbcsr_tracedbcsr_apidbcsr_operations Interface
    dbcsr_trace_cdbcsr_operationsSubroutine

    traces a DBCSR matrix

    dbcsr_trace_c dbcsr_api Subroutine
    dbcsr_trace_ddbcsr_trace_c dbcsr_operations Subroutine

    traces a DBCSR matrix
    dbcsr_trace_ddbcsr_trace_d dbcsr_api Subroutine
    dbcsr_trace_sdbcsr_trace_d dbcsr_operations Subroutine

    traces a DBCSR matrix
    dbcsr_trace_sdbcsr_trace_s dbcsr_api Subroutine
    dbcsr_trace_sdbcsr_operationsSubroutine

    traces a DBCSR matrix
    dbcsr_trace_sd
    dbcsr_trace_zdbcsr_operationsdbcsr_api Subroutine

    traces a DBCSR matrix
    dbcsr_trace_zdbcsr_apidbcsr_operations Subroutine

    traces a DBCSR matrix
    dbcsr_transpose_dims
    dbcsr_triudbcsr_operationsdbcsr_api Subroutine

    triu of a dbcsr matrix
    dbcsr_triudbcsr_apidbcsr_operations Subroutine

    triu of a dbcsr matrix
    dbcsr_type_1d_to_2d
    dbcsr_valid_indexdbcsr_methodsdbcsr_api Function

    Returns whether the index structure of the matrix is valid.
    dbcsr_valid_indexdbcsr_apidbcsr_methods Function

    Returns whether the index structure of the matrix is valid.
    dbcsr_verify_matrix
    prep_output_unitdbcsr_tensor_iodbcsr_tas_io Function
    prep_output_unitdbcsr_tas_iodbcsr_tensor_io Function
    random_distdbcsr_example_2dbcsr_example_1 Subroutine
    random_distdbcsr_example_1dbcsr_example_3 Subroutine
    random_distdbcsr_example_3dbcsr_example_2 Subroutine
    swapdbcsr_tas_utildbcsr_toollib Interface
    swapdbcsr_toollibdbcsr_tas_util Interface
    - + character(len=*), private,
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_8),
    - + type(acc_stream_type), intent(in)
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    - + complex(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_4),
    - + type(acc_stream_type), intent(in)
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    - + complex(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer, intent(in)
    - + type(acc_devmem_type), intent(inout)
    - + type(acc_stream_type), intent(in)
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(acc_devmem_type), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + type(acc_devmem_type), intent(inout)
    - + type(acc_devmem_type), intent(inout)
    - + type(acc_devmem_type), intent(inout)
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + character(len=*), private,
    - + type(acc_event_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_event_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_event_type), intent(inout)
    - + type(acc_event_type), intent(inout)
    - + type(acc_event_type), intent(in)
    - + character(len=*), private,
    - + logical, private,
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
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    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
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    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
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    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
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    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
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    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + character(len=*), private,
    - + logical, private,
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(acc_devmem_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + type(acc_devmem_type), intent(inout)
    - + logical, intent(inout)
    - + logical, intent(inout)
    - + type(acc_devmem_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + character(len=*), private,
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(out)
    - + character(len=*), intent(in)
    - + integer, intent(in),
    - + type(acc_stream_type), intent(inout)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(out)
    - + character(len=*), private,
    - + type(C_PTR), intent(in)
    - + integer(kind=C_INT), intent(out)
    - + integer(kind=C_INT), intent(in)
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + complex(kind=real_4), intent(in),
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    - + real(kind=real_4),
    - + logical, intent(in),
    - + logical, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8),
    - + logical, intent(in),
    - + logical, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4),
    - + logical, intent(in),
    - + logical, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8),
    - + logical, intent(in),
    - + logical, intent(out),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + logical, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + type(dbcsr_scalar_type), public
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj)
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer(kind=int_8), intent(inout),
    - + type(dbcsr_scalar_type), intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    @@ -5095,7 +5095,7 @@

    Arguments

    @@ -5110,7 +5110,7 @@

    Arguments

    @@ -5126,7 +5126,7 @@

    Arguments

    @@ -5142,7 +5142,7 @@

    Arguments

    @@ -5182,7 +5182,7 @@

    Arguments

    @@ -5280,7 +5280,7 @@

    Arguments

    -

    private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -5299,7 +5299,7 @@

    Arguments

    @@ -5314,7 +5314,7 @@

    Arguments

    @@ -5330,7 +5330,7 @@

    Arguments

    @@ -5346,7 +5346,7 @@

    Arguments

    @@ -5361,7 +5361,7 @@

    Arguments

    @@ -5376,7 +5376,7 @@

    Arguments

    @@ -5391,7 +5391,7 @@

    Arguments

    @@ -5407,7 +5407,7 @@

    Arguments

    @@ -5429,7 +5429,7 @@

    Arguments

    -

    private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -5448,7 +5448,7 @@

    Arguments

    @@ -5463,7 +5463,7 @@

    Arguments

    @@ -5479,7 +5479,7 @@

    Arguments

    @@ -5495,7 +5495,7 @@

    Arguments

    @@ -5510,7 +5510,7 @@

    Arguments

    @@ -5525,7 +5525,7 @@

    Arguments

    @@ -5540,7 +5540,7 @@

    Arguments

    @@ -5556,7 +5556,7 @@

    Arguments

    @@ -5578,7 +5578,7 @@

    Arguments

    -

    private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed)

    @@ -5597,7 +5597,7 @@

    Arguments

    @@ -5612,7 +5612,7 @@

    Arguments

    @@ -5628,7 +5628,7 @@

    Arguments

    @@ -5644,7 +5644,7 @@

    Arguments

    @@ -5659,7 +5659,7 @@

    Arguments

    @@ -5674,7 +5674,7 @@

    Arguments

    @@ -5695,7 +5695,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -5714,7 +5714,7 @@

    Arguments

    @@ -5729,7 +5729,7 @@

    Arguments

    @@ -5745,7 +5745,7 @@

    Arguments

    @@ -5761,7 +5761,7 @@

    Arguments

    @@ -5791,7 +5791,7 @@

    Arguments

    @@ -5807,7 +5807,7 @@

    Arguments

    @@ -5823,7 +5823,7 @@

    Arguments

    @@ -5838,7 +5838,7 @@

    Arguments

    @@ -5859,12 +5859,12 @@

    Arguments

    -

    private subroutine dbcsr_put_block_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_d(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more… + If the block exists, the current data is overwritten.

    Read more…

    Arguments

    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8),
    - + logical, intent(in),
    - + logical, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer(kind=int_8), intent(inout),
    - + real(kind=real_8), intent(in),
    @@ -5879,7 +5879,7 @@

    Arguments

    @@ -5894,7 +5894,7 @@

    Arguments

    @@ -5910,7 +5910,7 @@

    Arguments

    @@ -5926,7 +5926,7 @@

    Arguments

    @@ -5956,7 +5956,7 @@

    Arguments

    @@ -5972,7 +5972,7 @@

    Arguments

    @@ -5988,7 +5988,7 @@

    Arguments

    @@ -6003,7 +6003,7 @@

    Arguments

    @@ -6043,7 +6043,7 @@

    Arguments

    @@ -6126,7 +6126,7 @@

    Arguments

    -

    private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -6145,7 +6145,7 @@

    Arguments

    @@ -6160,7 +6160,7 @@

    Arguments

    @@ -6176,7 +6176,7 @@

    Arguments

    @@ -6192,7 +6192,7 @@

    Arguments

    @@ -6207,7 +6207,7 @@

    Arguments

    @@ -6222,7 +6222,7 @@

    Arguments

    @@ -6237,7 +6237,7 @@

    Arguments

    @@ -6253,7 +6253,7 @@

    Arguments

    @@ -6275,7 +6275,7 @@

    Arguments

    -

    private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -6294,7 +6294,7 @@

    Arguments

    @@ -6309,7 +6309,7 @@

    Arguments

    @@ -6325,7 +6325,7 @@

    Arguments

    @@ -6341,7 +6341,7 @@

    Arguments

    @@ -6356,7 +6356,7 @@

    Arguments

    @@ -6371,7 +6371,7 @@

    Arguments

    @@ -6386,7 +6386,7 @@

    Arguments

    @@ -6402,7 +6402,7 @@

    Arguments

    @@ -6424,7 +6424,7 @@

    Arguments

    -

    private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed)

    @@ -6443,7 +6443,7 @@

    Arguments

    @@ -6458,7 +6458,7 @@

    Arguments

    @@ -6474,7 +6474,7 @@

    Arguments

    @@ -6490,7 +6490,7 @@

    Arguments

    @@ -6505,7 +6505,7 @@

    Arguments

    @@ -6520,7 +6520,7 @@

    Arguments

    @@ -6541,7 +6541,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -6560,7 +6560,7 @@

    Arguments

    @@ -6575,7 +6575,7 @@

    Arguments

    @@ -6591,7 +6591,7 @@

    Arguments

    @@ -6607,7 +6607,7 @@

    Arguments

    @@ -6637,7 +6637,7 @@

    Arguments

    @@ -6653,7 +6653,7 @@

    Arguments

    @@ -6669,7 +6669,7 @@

    Arguments

    @@ -6684,7 +6684,7 @@

    Arguments

    @@ -6705,12 +6705,12 @@

    Arguments

    -

    private subroutine dbcsr_put_block_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_s(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more… + If the block exists, the current data is overwritten.

    Read more…

    Arguments

    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer(kind=int_8), intent(inout),
    - + real(kind=real_8), intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4),
    - + logical, intent(in),
    - + logical, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer(kind=int_8), intent(inout),
    - + real(kind=real_4), intent(in),
    @@ -6725,7 +6725,7 @@

    Arguments

    @@ -6740,7 +6740,7 @@

    Arguments

    @@ -6756,7 +6756,7 @@

    Arguments

    @@ -6772,7 +6772,7 @@

    Arguments

    @@ -6802,7 +6802,7 @@

    Arguments

    @@ -6818,7 +6818,7 @@

    Arguments

    @@ -6834,7 +6834,7 @@

    Arguments

    @@ -6849,7 +6849,7 @@

    Arguments

    @@ -6889,7 +6889,7 @@

    Arguments

    @@ -6972,7 +6972,7 @@

    Arguments

    -

    private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -6991,7 +6991,7 @@

    Arguments

    @@ -7006,7 +7006,7 @@

    Arguments

    @@ -7022,7 +7022,7 @@

    Arguments

    @@ -7038,7 +7038,7 @@

    Arguments

    @@ -7053,7 +7053,7 @@

    Arguments

    @@ -7068,7 +7068,7 @@

    Arguments

    @@ -7083,7 +7083,7 @@

    Arguments

    @@ -7099,7 +7099,7 @@

    Arguments

    @@ -7121,7 +7121,7 @@

    Arguments

    -

    private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -7140,7 +7140,7 @@

    Arguments

    @@ -7155,7 +7155,7 @@

    Arguments

    @@ -7171,7 +7171,7 @@

    Arguments

    @@ -7187,7 +7187,7 @@

    Arguments

    @@ -7202,7 +7202,7 @@

    Arguments

    @@ -7217,7 +7217,7 @@

    Arguments

    @@ -7232,7 +7232,7 @@

    Arguments

    @@ -7248,7 +7248,7 @@

    Arguments

    @@ -7270,7 +7270,7 @@

    Arguments

    -

    private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transposed, existed)

    @@ -7289,7 +7289,7 @@

    Arguments

    @@ -7304,7 +7304,7 @@

    Arguments

    @@ -7320,7 +7320,7 @@

    Arguments

    @@ -7336,7 +7336,7 @@

    Arguments

    @@ -7351,7 +7351,7 @@

    Arguments

    @@ -7366,7 +7366,7 @@

    Arguments

    @@ -7387,7 +7387,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -7406,7 +7406,7 @@

    Arguments

    @@ -7421,7 +7421,7 @@

    Arguments

    @@ -7437,7 +7437,7 @@

    Arguments

    @@ -7453,7 +7453,7 @@

    Arguments

    @@ -7483,7 +7483,7 @@

    Arguments

    @@ -7499,7 +7499,7 @@

    Arguments

    @@ -7515,7 +7515,7 @@

    Arguments

    @@ -7530,7 +7530,7 @@

    Arguments

    @@ -7551,12 +7551,12 @@

    Arguments

    -

    private subroutine dbcsr_put_block_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_z(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more… + If the block exists, the current data is overwritten.

    Read more…

    Arguments

    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer(kind=int_8), intent(inout),
    - + real(kind=real_4), intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8),
    - + logical, intent(in),
    - + logical, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer(kind=int_8), intent(inout),
    - + complex(kind=real_8), intent(in),
    @@ -7571,7 +7571,7 @@

    Arguments

    @@ -7586,7 +7586,7 @@

    Arguments

    @@ -7602,7 +7602,7 @@

    Arguments

    @@ -7618,7 +7618,7 @@

    Arguments

    @@ -7648,7 +7648,7 @@

    Arguments

    @@ -7664,7 +7664,7 @@

    Arguments

    @@ -7680,7 +7680,7 @@

    Arguments

    @@ -7695,7 +7695,7 @@

    Arguments

    @@ -7735,7 +7735,7 @@

    Arguments

    @@ -7818,7 +7818,7 @@

    Arguments

    -

    private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -7837,7 +7837,7 @@

    Arguments

    @@ -7852,7 +7852,7 @@

    Arguments

    @@ -7868,7 +7868,7 @@

    Arguments

    @@ -7884,7 +7884,7 @@

    Arguments

    @@ -7899,7 +7899,7 @@

    Arguments

    @@ -7914,7 +7914,7 @@

    Arguments

    @@ -7929,7 +7929,7 @@

    Arguments

    @@ -7945,7 +7945,7 @@

    Arguments

    @@ -7967,7 +7967,7 @@

    Arguments

    -

    private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found, row_size, col_size) +

    private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)

    @@ -7986,7 +7986,7 @@

    Arguments

    @@ -8001,7 +8001,7 @@

    Arguments

    @@ -8017,7 +8017,7 @@

    Arguments

    @@ -8033,7 +8033,7 @@

    Arguments

    @@ -8048,7 +8048,7 @@

    Arguments

    @@ -8063,7 +8063,7 @@

    Arguments

    @@ -8078,7 +8078,7 @@

    Arguments

    @@ -8094,7 +8094,7 @@

    Arguments

    @@ -8116,7 +8116,7 @@

    Arguments

    -

    private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transposed, existed) +

    private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transposed, existed)

    @@ -8135,7 +8135,7 @@

    Arguments

    @@ -8150,7 +8150,7 @@

    Arguments

    @@ -8166,7 +8166,7 @@

    Arguments

    @@ -8182,7 +8182,7 @@

    Arguments

    @@ -8197,7 +8197,7 @@

    Arguments

    @@ -8212,7 +8212,7 @@

    Arguments

    @@ -8233,7 +8233,7 @@

    Arguments

    -

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block2d_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    @@ -8252,7 +8252,7 @@

    Arguments

    @@ -8267,7 +8267,7 @@

    Arguments

    @@ -8283,7 +8283,7 @@

    Arguments

    @@ -8299,7 +8299,7 @@

    Arguments

    @@ -8329,7 +8329,7 @@

    Arguments

    @@ -8345,7 +8345,7 @@

    Arguments

    @@ -8361,7 +8361,7 @@

    Arguments

    @@ -8376,7 +8376,7 @@

    Arguments

    @@ -8397,12 +8397,12 @@

    Arguments

    -

    private subroutine dbcsr_put_block_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale) +

    private subroutine dbcsr_put_block_c(matrix, row, col, block, lb_row_col, transposed, summation, flop, scale)

    Inserts a block in a dbcsr matrix. - If the block exists, the current data is overwritten.

    Read more… + If the block exists, the current data is overwritten.

    Read more…

    Arguments

    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer(kind=int_8), intent(inout),
    - + complex(kind=real_8), intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4),
    - + logical, intent(in),
    - + logical, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer(kind=int_8), intent(inout),
    - + complex(kind=real_4), intent(in),
    @@ -8417,7 +8417,7 @@

    Arguments

    @@ -8432,7 +8432,7 @@

    Arguments

    @@ -8448,7 +8448,7 @@

    Arguments

    @@ -8464,7 +8464,7 @@

    Arguments

    @@ -8494,7 +8494,7 @@

    Arguments

    @@ -8510,7 +8510,7 @@

    Arguments

    @@ -8526,7 +8526,7 @@

    Arguments

    @@ -8541,7 +8541,7 @@

    Arguments

    @@ -8581,7 +8581,7 @@

    Arguments

    diff --git a/develop/module/dbcsr_block_operations.html b/develop/module/dbcsr_block_operations.html index 5be8e8a225b..33eb02a22b5 100644 --- a/develop/module/dbcsr_block_operations.html +++ b/develop/module/dbcsr_block_operations.html @@ -113,9 +113,9 @@

    Variables

    @@ -251,12 +251,12 @@

    Uses

    @@ -281,7 +281,7 @@

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    diff --git a/develop/module/dbcsr_dist_methods.html b/develop/module/dbcsr_dist_methods.html index f941858c954..d0d66370c09 100644 --- a/develop/module/dbcsr_dist_methods.html +++ b/develop/module/dbcsr_dist_methods.html @@ -113,7 +113,7 @@

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    dbcsr_distribution_new_templatedbcsr_distribution_new_objdbcsr_distribution_new_low - dbcsr_distribution_get - dbcsr_distribution_hold + dbcsr_distribution_get + dbcsr_distribution_holddbcsr_distribution_make_threadsmake_threadsdbcsr_distribution_no_threads @@ -207,16 +207,16 @@

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    @@ -1930,7 +1930,7 @@

    Arguments

    -

    public subroutine dbcsr_distribution_get(dist, row_dist, col_dist, nrows, ncols, has_threads, group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, subgroups_defined, prow_group, pcol_group) +

    public subroutine dbcsr_distribution_get(dist, row_dist, col_dist, nrows, ncols, has_threads, group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, subgroups_defined, prow_group, pcol_group)

    @@ -1949,7 +1949,7 @@

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    Arguments

    @@ -2189,7 +2189,7 @@

    Arguments

    @@ -2210,7 +2210,7 @@

    Arguments

    -

    public subroutine dbcsr_distribution_hold(dist) +

    public subroutine dbcsr_distribution_hold(dist)

    @@ -2229,7 +2229,7 @@

    Arguments

    @@ -2269,7 +2269,7 @@

    Arguments

    @@ -2324,7 +2324,7 @@

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    diff --git a/develop/module/dbcsr_dist_operations.html b/develop/module/dbcsr_dist_operations.html index 776c87300e1..8319ac4e65a 100644 --- a/develop/module/dbcsr_dist_operations.html +++ b/develop/module/dbcsr_dist_operations.html @@ -113,9 +113,9 @@

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    diff --git a/develop/module/dbcsr_dist_util.html b/develop/module/dbcsr_dist_util.html index 4a8362992f0..a16848c6323 100644 --- a/develop/module/dbcsr_dist_util.html +++ b/develop/module/dbcsr_dist_util.html @@ -113,7 +113,7 @@

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    diff --git a/develop/module/dbcsr_error_handling.html b/develop/module/dbcsr_error_handling.html index edd8d90fb59..56cf83b9797 100644 --- a/develop/module/dbcsr_error_handling.html +++ b/develop/module/dbcsr_error_handling.html @@ -113,7 +113,7 @@

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    diff --git a/develop/module/dbcsr_hip_profiling.html b/develop/module/dbcsr_hip_profiling.html index 604ac55d423..b91dd489369 100644 --- a/develop/module/dbcsr_hip_profiling.html +++ b/develop/module/dbcsr_hip_profiling.html @@ -182,7 +182,7 @@

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    @@ -746,7 +746,7 @@

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    @@ -776,7 +776,7 @@

    Arguments

    Subroutines

    -

    public subroutine dbcsr_print(matrix, nodata, matlab_format, variable_name, unit_nr) +

    public subroutine dbcsr_print(matrix, nodata, matlab_format, variable_name, unit_nr)

    @@ -795,7 +795,7 @@

    Arguments

    @@ -810,7 +810,7 @@

    Arguments

    @@ -825,7 +825,7 @@

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    @@ -840,7 +840,7 @@

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    @@ -1060,7 +1060,7 @@

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    @@ -1075,7 +1075,7 @@

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    @@ -1135,7 +1135,7 @@

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    @@ -1150,7 +1150,7 @@

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    @@ -1190,7 +1190,7 @@

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    @@ -1205,7 +1205,7 @@

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    @@ -1220,7 +1220,7 @@

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    @@ -1280,7 +1280,7 @@

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    @@ -1295,7 +1295,7 @@

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    @@ -1335,7 +1335,7 @@

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    @@ -1350,7 +1350,7 @@

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    @@ -1365,7 +1365,7 @@

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    @@ -1425,7 +1425,7 @@

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    @@ -1440,7 +1440,7 @@

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    @@ -1480,7 +1480,7 @@

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    @@ -1495,7 +1495,7 @@

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    @@ -1511,7 +1511,7 @@

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    @@ -1558,7 +1558,7 @@

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    @@ -1598,7 +1598,7 @@

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    @@ -1613,7 +1613,7 @@

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    @@ -1628,7 +1628,7 @@

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    @@ -1673,7 +1673,7 @@

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    @@ -1713,7 +1713,7 @@

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    @@ -1728,7 +1728,7 @@

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    @@ -1743,7 +1743,7 @@

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    @@ -1828,7 +1828,7 @@

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    @@ -1843,7 +1843,7 @@

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    @@ -1858,7 +1858,7 @@

    Arguments

    @@ -1903,7 +1903,7 @@

    Arguments

    @@ -1924,7 +1924,7 @@

    Arguments

    -

    public subroutine dbcsr_binary_write(matrix, filepath) +

    public subroutine dbcsr_binary_write(matrix, filepath)

    @@ -1958,7 +1958,7 @@

    Arguments

    @@ -1973,7 +1973,7 @@

    Arguments

    @@ -1994,7 +1994,7 @@

    Arguments

    -

    public subroutine dbcsr_binary_read(filepath, distribution, matrix_new) +

    public subroutine dbcsr_binary_read(filepath, distribution, matrix_new)

    @@ -2013,7 +2013,7 @@

    Arguments

    @@ -2028,7 +2028,7 @@

    Arguments

    @@ -2064,7 +2064,7 @@

    Arguments

    -

    public subroutine dbcsr_print_block_sum(matrix, unit_nr) +

    public subroutine dbcsr_print_block_sum(matrix, unit_nr)

    @@ -2083,7 +2083,7 @@

    Arguments

    @@ -2098,7 +2098,7 @@

    Arguments

    diff --git a/develop/module/dbcsr_iter_types.html b/develop/module/dbcsr_iter_types.html index 6ee4c3197bc..7b038f35719 100644 --- a/develop/module/dbcsr_iter_types.html +++ b/develop/module/dbcsr_iter_types.html @@ -113,7 +113,7 @@

    Variables

    - moduleN + moduleN debug_this_module last_it_info_id
    @@ -176,8 +176,8 @@

    Uses

    @@ -202,7 +202,7 @@

    Variables

    @@ -288,7 +288,7 @@

    Components

    diff --git a/develop/module/dbcsr_iterator_operations.html b/develop/module/dbcsr_iterator_operations.html index c07057d282c..c7978a4c922 100644 --- a/develop/module/dbcsr_iterator_operations.html +++ b/develop/module/dbcsr_iterator_operations.html @@ -113,16 +113,16 @@

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    diff --git a/develop/module/dbcsr_multiply_api.html b/develop/module/dbcsr_multiply_api.html index 0211ea6b0db..8488c2f00dc 100644 --- a/develop/module/dbcsr_multiply_api.html +++ b/develop/module/dbcsr_multiply_api.html @@ -113,7 +113,7 @@

    Variables

    @@ -131,7 +131,7 @@

    Interfaces

    @@ -146,10 +146,10 @@

    Subroutines

    @@ -175,12 +175,12 @@

    Uses

    @@ -205,7 +205,7 @@

    Variables

    @@ -231,8 +231,8 @@

    Variables

    Interfaces

    - -

    public interface dbcsr_multiply + +

    public interface dbcsr_multiply

      @@ -281,7 +281,7 @@

      Arguments

    @@ -299,7 +299,7 @@

    Arguments

    @@ -317,7 +317,7 @@

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    @@ -332,7 +332,7 @@

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    @@ -474,7 +474,7 @@

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    @@ -494,7 +494,7 @@

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    @@ -514,7 +514,7 @@

    Arguments

    @@ -529,7 +529,7 @@

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    @@ -544,7 +544,7 @@

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    @@ -564,7 +564,7 @@

    Arguments

  • - private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) + private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -583,7 +583,7 @@

    Arguments

    • @@ -598,7 +598,7 @@

    Arguments

    @@ -613,7 +613,7 @@

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    @@ -628,7 +628,7 @@

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    @@ -643,7 +643,7 @@

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    @@ -658,7 +658,7 @@

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    @@ -673,7 +673,7 @@

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    @@ -688,7 +688,7 @@

    Arguments

    @@ -703,7 +703,7 @@

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    @@ -718,7 +718,7 @@

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    @@ -733,7 +733,7 @@

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    @@ -748,7 +748,7 @@

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    @@ -763,7 +763,7 @@

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    @@ -778,7 +778,7 @@

    Arguments

    @@ -793,7 +793,7 @@

    Arguments

    @@ -808,7 +808,7 @@

    Arguments

    @@ -828,7 +828,7 @@

    Arguments

  • - private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) + private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -847,7 +847,7 @@

    Arguments

    • @@ -862,7 +862,7 @@

    Arguments

    @@ -877,7 +877,7 @@

    Arguments

    @@ -892,7 +892,7 @@

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    @@ -907,7 +907,7 @@

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    @@ -922,7 +922,7 @@

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    @@ -937,7 +937,7 @@

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    @@ -952,7 +952,7 @@

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    @@ -967,7 +967,7 @@

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    @@ -982,7 +982,7 @@

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    @@ -997,7 +997,7 @@

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    @@ -1012,7 +1012,7 @@

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    @@ -1027,7 +1027,7 @@

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    @@ -1042,7 +1042,7 @@

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    @@ -1057,7 +1057,7 @@

    Arguments

    @@ -1072,7 +1072,7 @@

    Arguments

    @@ -1092,7 +1092,7 @@

    Arguments

  • - private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) + private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -1111,7 +1111,7 @@

    Arguments

    • @@ -1126,7 +1126,7 @@

    Arguments

    @@ -1141,7 +1141,7 @@

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    @@ -1156,7 +1156,7 @@

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    @@ -1171,7 +1171,7 @@

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    @@ -1186,7 +1186,7 @@

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    @@ -1201,7 +1201,7 @@

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    @@ -1216,7 +1216,7 @@

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    @@ -1231,7 +1231,7 @@

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    @@ -1246,7 +1246,7 @@

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    @@ -1261,7 +1261,7 @@

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    @@ -1276,7 +1276,7 @@

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    @@ -1291,7 +1291,7 @@

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    @@ -1306,7 +1306,7 @@

    Arguments

    @@ -1321,7 +1321,7 @@

    Arguments

    @@ -1336,7 +1336,7 @@

    Arguments

    @@ -1356,7 +1356,7 @@

    Arguments

  • - private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) + private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -1375,7 +1375,7 @@

    Arguments

    • @@ -1390,7 +1390,7 @@

    Arguments

    @@ -1405,7 +1405,7 @@

    Arguments

    @@ -1420,7 +1420,7 @@

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    @@ -1435,7 +1435,7 @@

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    @@ -1450,7 +1450,7 @@

    Arguments

    @@ -1465,7 +1465,7 @@

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    @@ -1480,7 +1480,7 @@

    Arguments

    @@ -1495,7 +1495,7 @@

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    @@ -1510,7 +1510,7 @@

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    @@ -1525,7 +1525,7 @@

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    @@ -1540,7 +1540,7 @@

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    @@ -1555,7 +1555,7 @@

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    @@ -1570,7 +1570,7 @@

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    @@ -1585,7 +1585,7 @@

    Arguments

    @@ -1600,7 +1600,7 @@

    Arguments

    @@ -1630,7 +1630,7 @@

    Arguments

    Subroutines

    -

    private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -1649,7 +1649,7 @@

    Arguments

    @@ -1664,7 +1664,7 @@

    Arguments

    @@ -1679,7 +1679,7 @@

    Arguments

    @@ -1694,7 +1694,7 @@

    Arguments

    @@ -1709,7 +1709,7 @@

    Arguments

    @@ -1724,7 +1724,7 @@

    Arguments

    @@ -1739,7 +1739,7 @@

    Arguments

    @@ -1754,7 +1754,7 @@

    Arguments

    @@ -1769,7 +1769,7 @@

    Arguments

    @@ -1784,7 +1784,7 @@

    Arguments

    @@ -1799,7 +1799,7 @@

    Arguments

    @@ -1814,7 +1814,7 @@

    Arguments

    @@ -1829,7 +1829,7 @@

    Arguments

    @@ -1844,7 +1844,7 @@

    Arguments

    @@ -1859,7 +1859,7 @@

    Arguments

    @@ -1874,7 +1874,7 @@

    Arguments

    @@ -1895,7 +1895,7 @@

    Arguments

    -

    private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -1914,7 +1914,7 @@

    Arguments

    @@ -1929,7 +1929,7 @@

    Arguments

    @@ -1944,7 +1944,7 @@

    Arguments

    @@ -1959,7 +1959,7 @@

    Arguments

    @@ -1974,7 +1974,7 @@

    Arguments

    @@ -1989,7 +1989,7 @@

    Arguments

    @@ -2004,7 +2004,7 @@

    Arguments

    @@ -2019,7 +2019,7 @@

    Arguments

    @@ -2034,7 +2034,7 @@

    Arguments

    @@ -2049,7 +2049,7 @@

    Arguments

    @@ -2064,7 +2064,7 @@

    Arguments

    @@ -2079,7 +2079,7 @@

    Arguments

    @@ -2094,7 +2094,7 @@

    Arguments

    @@ -2109,7 +2109,7 @@

    Arguments

    @@ -2124,7 +2124,7 @@

    Arguments

    @@ -2139,7 +2139,7 @@

    Arguments

    @@ -2160,7 +2160,7 @@

    Arguments

    -

    private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -2179,7 +2179,7 @@

    Arguments

    @@ -2194,7 +2194,7 @@

    Arguments

    @@ -2209,7 +2209,7 @@

    Arguments

    @@ -2224,7 +2224,7 @@

    Arguments

    @@ -2239,7 +2239,7 @@

    Arguments

    @@ -2254,7 +2254,7 @@

    Arguments

    @@ -2269,7 +2269,7 @@

    Arguments

    @@ -2284,7 +2284,7 @@

    Arguments

    @@ -2299,7 +2299,7 @@

    Arguments

    @@ -2314,7 +2314,7 @@

    Arguments

    @@ -2329,7 +2329,7 @@

    Arguments

    @@ -2344,7 +2344,7 @@

    Arguments

    @@ -2359,7 +2359,7 @@

    Arguments

    @@ -2374,7 +2374,7 @@

    Arguments

    @@ -2389,7 +2389,7 @@

    Arguments

    @@ -2404,7 +2404,7 @@

    Arguments

    @@ -2425,7 +2425,7 @@

    Arguments

    -

    private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop) +

    private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)

    @@ -2444,7 +2444,7 @@

    Arguments

    @@ -2459,7 +2459,7 @@

    Arguments

    @@ -2474,7 +2474,7 @@

    Arguments

    @@ -2489,7 +2489,7 @@

    Arguments

    @@ -2504,7 +2504,7 @@

    Arguments

    @@ -2519,7 +2519,7 @@

    Arguments

    @@ -2534,7 +2534,7 @@

    Arguments

    @@ -2549,7 +2549,7 @@

    Arguments

    @@ -2564,7 +2564,7 @@

    Arguments

    @@ -2579,7 +2579,7 @@

    Arguments

    @@ -2594,7 +2594,7 @@

    Arguments

    @@ -2609,7 +2609,7 @@

    Arguments

    @@ -2624,7 +2624,7 @@

    Arguments

    @@ -2639,7 +2639,7 @@

    Arguments

    @@ -2654,7 +2654,7 @@

    Arguments

    @@ -2669,7 +2669,7 @@

    Arguments

    diff --git a/develop/module/dbcsr_operations.html b/develop/module/dbcsr_operations.html index 7c6a42c19cf..05127846fa1 100644 --- a/develop/module/dbcsr_operations.html +++ b/develop/module/dbcsr_operations.html @@ -113,19 +113,19 @@

    Variables

    @@ -144,16 +144,16 @@

    Interfaces

    @@ -174,12 +174,12 @@

    Functions

    symmetry_consistentsymmetry_compatiblepos_relation - dbcsr_gershgorin_norm - dbcsr_maxabs - dbcsr_frobenius_norm + dbcsr_gershgorin_norm + dbcsr_maxabs + dbcsr_frobenius_normdbcsr_block_in_limitsdbcsr_may_be_dense - dbcsr_get_occupation + dbcsr_get_occupation @@ -191,79 +191,79 @@

    Subroutines

    - dbcsr_add_block_node + dbcsr_add_block_node dbcsr_conjg dbcsr_zero dbcsr_scale_anytype frame_block_limit dbcsr_scale_by_vector_anytype dbcsr_add_anytype - dbcsr_add_d - dbcsr_add_s - dbcsr_add_z - dbcsr_add_c + dbcsr_add_d + dbcsr_add_s + dbcsr_add_z + dbcsr_add_c dbcsr_add_on_diag_ds - dbcsr_function_of_elements - dbcsr_hadamard_product - dbcsr_init_random - dbcsr_get_block_diag - dbcsr_copy - dbcsr_copy_into_existing + dbcsr_function_of_elements + dbcsr_hadamard_product + dbcsr_init_random + dbcsr_get_block_diag + dbcsr_copy + dbcsr_copy_into_existing dbcsr_copy_into_existing_sym dbcsr_copy_submatrix dbcsr_crop_matrix - dbcsr_triu + dbcsr_triu dbcsr_filter_anytype - dbcsr_norm_scalar - dbcsr_norm_r8_vec + dbcsr_norm_scalar + dbcsr_norm_r8_vec dbcsr_norm_vec - dbcsr_sum_replicated - dbcsr_get_info - dbcsr_clear + dbcsr_sum_replicated + dbcsr_get_info + dbcsr_clear dbcsr_trace_sd dbcsr_dot_sd - dbcsr_trace_d - dbcsr_dot_d - dbcsr_scale_d - dbcsr_scale_by_vector_d - dbcsr_set_d + dbcsr_trace_d + dbcsr_dot_d + dbcsr_scale_d + dbcsr_scale_by_vector_d + dbcsr_set_d dbcsr_filter_d - dbcsr_set_diag_d - dbcsr_get_diag_d - dbcsr_add_on_diag_d + dbcsr_set_diag_d + dbcsr_get_diag_d + dbcsr_add_on_diag_d dbcsr_update_contiguous_blocks_d dbcsr_add_anytype_d - dbcsr_trace_s - dbcsr_dot_s - dbcsr_scale_s - dbcsr_scale_by_vector_s - dbcsr_set_s + dbcsr_trace_s + dbcsr_dot_s + dbcsr_scale_s + dbcsr_scale_by_vector_s + dbcsr_set_s dbcsr_filter_s - dbcsr_set_diag_s - dbcsr_get_diag_s - dbcsr_add_on_diag_s + dbcsr_set_diag_s + dbcsr_get_diag_s + dbcsr_add_on_diag_s dbcsr_update_contiguous_blocks_s dbcsr_add_anytype_s - dbcsr_trace_z - dbcsr_dot_z - dbcsr_scale_z - dbcsr_scale_by_vector_z - dbcsr_set_z + dbcsr_trace_z + dbcsr_dot_z + dbcsr_scale_z + dbcsr_scale_by_vector_z + dbcsr_set_z dbcsr_filter_z - dbcsr_set_diag_z - dbcsr_get_diag_z - dbcsr_add_on_diag_z + dbcsr_set_diag_z + dbcsr_get_diag_z + dbcsr_add_on_diag_z dbcsr_update_contiguous_blocks_z dbcsr_add_anytype_z - dbcsr_trace_c - dbcsr_dot_c - dbcsr_scale_c - dbcsr_scale_by_vector_c - dbcsr_set_c + dbcsr_trace_c + dbcsr_dot_c + dbcsr_scale_c + dbcsr_scale_by_vector_c + dbcsr_set_c dbcsr_filter_c - dbcsr_set_diag_c - dbcsr_get_diag_c - dbcsr_add_on_diag_c + dbcsr_set_diag_c + dbcsr_get_diag_c + dbcsr_add_on_diag_c dbcsr_update_contiguous_blocks_c dbcsr_add_anytype_c
    @@ -291,27 +291,27 @@

    Uses

    @@ -336,7 +336,7 @@

    Variables

    @@ -404,7 +404,7 @@

    Variables

    @@ -421,7 +421,7 @@

    Variables

    @@ -438,7 +438,7 @@

    Variables

    @@ -455,7 +455,7 @@

    Variables

    @@ -472,7 +472,7 @@

    Variables

    @@ -489,7 +489,7 @@

    Variables

    @@ -506,7 +506,7 @@

    Variables

    @@ -523,7 +523,7 @@

    Variables

    @@ -540,7 +540,7 @@

    Variables

    @@ -593,7 +593,7 @@

    Arguments

    @@ -608,7 +608,7 @@

    Arguments

    @@ -653,7 +653,7 @@

    Arguments

    @@ -668,7 +668,7 @@

    Arguments

    @@ -713,7 +713,7 @@

    Arguments

    @@ -728,7 +728,7 @@

    Arguments

    @@ -773,7 +773,7 @@

    Arguments

    @@ -788,7 +788,7 @@

    Arguments

    @@ -816,14 +816,14 @@

    - -

    public interface dbcsr_trace + +

    public interface dbcsr_trace

    • - private subroutine dbcsr_trace_s(matrix_a, trace) + private subroutine dbcsr_trace_s(matrix_a, trace)

      @@ -842,7 +842,7 @@

      Arguments

    @@ -857,7 +857,7 @@

    Arguments

    @@ -896,7 +896,7 @@

    Arguments

    @@ -911,7 +911,7 @@

    Arguments

    @@ -931,7 +931,7 @@

    Arguments

  • - private subroutine dbcsr_trace_c(matrix_a, trace) + private subroutine dbcsr_trace_c(matrix_a, trace)

    @@ -950,7 +950,7 @@

    Arguments

    • @@ -965,7 +965,7 @@

    Arguments

    @@ -985,7 +985,7 @@

    Arguments

  • - private subroutine dbcsr_trace_z(matrix_a, trace) + private subroutine dbcsr_trace_z(matrix_a, trace)

    @@ -1004,7 +1004,7 @@

    Arguments

    • @@ -1019,7 +1019,7 @@

    Arguments

    @@ -1042,14 +1042,14 @@

    Arguments

    - -

    public interface dbcsr_dot + +

    public interface dbcsr_dot

    • - private subroutine dbcsr_dot_s(matrix_a, matrix_b, trace) + private subroutine dbcsr_dot_s(matrix_a, matrix_b, trace)

      @@ -1068,7 +1068,7 @@

      Arguments

    @@ -1084,7 +1084,7 @@

    Arguments

    @@ -1100,7 +1100,7 @@

    Arguments

    @@ -1140,7 +1140,7 @@

    Arguments

    @@ -1156,7 +1156,7 @@

    Arguments

    @@ -1172,7 +1172,7 @@

    Arguments

    @@ -1192,7 +1192,7 @@

    Arguments

  • - private subroutine dbcsr_dot_c(matrix_a, matrix_b, trace) + private subroutine dbcsr_dot_c(matrix_a, matrix_b, trace)

    @@ -1211,7 +1211,7 @@

    Arguments

    • @@ -1227,7 +1227,7 @@

    Arguments

    @@ -1243,7 +1243,7 @@

    Arguments

    @@ -1263,7 +1263,7 @@

    Arguments

  • - private subroutine dbcsr_dot_z(matrix_a, matrix_b, trace) + private subroutine dbcsr_dot_z(matrix_a, matrix_b, trace)

    @@ -1282,7 +1282,7 @@

    Arguments

    • @@ -1298,7 +1298,7 @@

    Arguments

    @@ -1314,7 +1314,7 @@

    Arguments

    @@ -1337,8 +1337,8 @@

    Arguments

    - -

    public interface dbcsr_scale + +

    public interface dbcsr_scale

      @@ -1366,7 +1366,7 @@

      Arguments

    @@ -1381,7 +1381,7 @@

    Arguments

    @@ -1396,7 +1396,7 @@

    Arguments

    @@ -1416,7 +1416,7 @@

    Arguments

  • - private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column) + private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column)

    @@ -1435,7 +1435,7 @@

    Arguments

    • @@ -1450,7 +1450,7 @@

    Arguments

    @@ -1465,7 +1465,7 @@

    Arguments

    @@ -1485,7 +1485,7 @@

    Arguments

  • - private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column) + private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)

    @@ -1504,7 +1504,7 @@

    Arguments

    • @@ -1519,7 +1519,7 @@

    Arguments

    @@ -1534,7 +1534,7 @@

    Arguments

    @@ -1554,7 +1554,7 @@

    Arguments

  • - private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column) + private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column)

    @@ -1573,7 +1573,7 @@

    Arguments

    • @@ -1588,7 +1588,7 @@

    Arguments

    @@ -1603,7 +1603,7 @@

    Arguments

    @@ -1623,7 +1623,7 @@

    Arguments

  • - private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column) + private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column)

    @@ -1642,7 +1642,7 @@

    Arguments

    • @@ -1657,7 +1657,7 @@

    Arguments

    @@ -1672,7 +1672,7 @@

    Arguments

    @@ -1695,8 +1695,8 @@

    Arguments

    - -

    public interface dbcsr_scale_by_vector + +

    public interface dbcsr_scale_by_vector

      @@ -1721,7 +1721,7 @@

      Arguments

    @@ -1736,7 +1736,7 @@

    Arguments

    @@ -1751,7 +1751,7 @@

    Arguments

    @@ -1771,7 +1771,7 @@

    Arguments

  • - private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side) + private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side)

    @@ -1790,7 +1790,7 @@

    Arguments

    • @@ -1805,7 +1805,7 @@

    Arguments

    @@ -1820,7 +1820,7 @@

    Arguments

    @@ -1840,7 +1840,7 @@

    Arguments

  • - private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side) + private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side)

    @@ -1859,7 +1859,7 @@

    Arguments

    • @@ -1874,7 +1874,7 @@

    Arguments

    @@ -1889,7 +1889,7 @@

    Arguments

    @@ -1909,7 +1909,7 @@

    Arguments

  • - private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side) + private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side)

    @@ -1928,7 +1928,7 @@

    Arguments

    • @@ -1943,7 +1943,7 @@

    Arguments

    @@ -1958,7 +1958,7 @@

    Arguments

    @@ -1978,7 +1978,7 @@

    Arguments

  • - private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side) + private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side)

    @@ -1997,7 +1997,7 @@

    Arguments

    • @@ -2012,7 +2012,7 @@

    Arguments

    @@ -2027,7 +2027,7 @@

    Arguments

    @@ -2050,14 +2050,14 @@

    Arguments

    - -

    public interface dbcsr_set + +

    public interface dbcsr_set

    • - private subroutine dbcsr_set_s(matrix, alpha) + private subroutine dbcsr_set_s(matrix, alpha)

      @@ -2076,7 +2076,7 @@

      Arguments

    @@ -2091,7 +2091,7 @@

    Arguments

    @@ -2111,7 +2111,7 @@

    Arguments

  • - private subroutine dbcsr_set_d(matrix, alpha) + private subroutine dbcsr_set_d(matrix, alpha)

    @@ -2130,7 +2130,7 @@

    Arguments

    • @@ -2145,7 +2145,7 @@

    Arguments

    @@ -2165,7 +2165,7 @@

    Arguments

  • - private subroutine dbcsr_set_c(matrix, alpha) + private subroutine dbcsr_set_c(matrix, alpha)

    @@ -2184,7 +2184,7 @@

    Arguments

    • @@ -2199,7 +2199,7 @@

    Arguments

    @@ -2219,7 +2219,7 @@

    Arguments

  • - private subroutine dbcsr_set_z(matrix, alpha) + private subroutine dbcsr_set_z(matrix, alpha)

    @@ -2238,7 +2238,7 @@

    Arguments

    • @@ -2253,7 +2253,7 @@

    Arguments

    @@ -2276,8 +2276,8 @@

    Arguments

    - -

    public interface dbcsr_add + +

    public interface dbcsr_add

      @@ -2303,7 +2303,7 @@

      Arguments

    @@ -2318,7 +2318,7 @@

    Arguments

    @@ -2333,7 +2333,7 @@

    Arguments

    @@ -2348,7 +2348,7 @@

    Arguments

    @@ -2363,7 +2363,7 @@

    Arguments

    @@ -2383,7 +2383,7 @@

    Arguments

  • - private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar) + private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -2402,7 +2402,7 @@

    Arguments

    • @@ -2417,7 +2417,7 @@

    Arguments

    @@ -2432,7 +2432,7 @@

    Arguments

    @@ -2447,7 +2447,7 @@

    Arguments

    @@ -2467,7 +2467,7 @@

    Arguments

  • - private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar) + private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -2486,7 +2486,7 @@

    Arguments

    • @@ -2501,7 +2501,7 @@

    Arguments

    @@ -2516,7 +2516,7 @@

    Arguments

    @@ -2531,7 +2531,7 @@

    Arguments

    @@ -2551,7 +2551,7 @@

    Arguments

  • - private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar) + private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -2570,7 +2570,7 @@

    Arguments

    • @@ -2585,7 +2585,7 @@

    Arguments

    @@ -2600,7 +2600,7 @@

    Arguments

    @@ -2615,7 +2615,7 @@

    Arguments

    @@ -2635,7 +2635,7 @@

    Arguments

  • - private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar) + private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -2654,7 +2654,7 @@

    Arguments

    • @@ -2669,7 +2669,7 @@

    Arguments

    @@ -2684,7 +2684,7 @@

    Arguments

    @@ -2699,7 +2699,7 @@

    Arguments

    @@ -2722,14 +2722,14 @@

    Arguments

    - -

    public interface dbcsr_add_on_diag + +

    public interface dbcsr_add_on_diag

    @@ -2763,7 +2763,7 @@

    Arguments

    @@ -2802,7 +2802,7 @@

    Arguments

    @@ -2817,7 +2817,7 @@

    Arguments

    @@ -2837,7 +2837,7 @@

    Arguments

  • - private subroutine dbcsr_add_on_diag_c(matrix, alpha) + private subroutine dbcsr_add_on_diag_c(matrix, alpha)

    @@ -2856,7 +2856,7 @@

    Arguments

    • @@ -2871,7 +2871,7 @@

    Arguments

    @@ -2891,7 +2891,7 @@

    Arguments

  • - private subroutine dbcsr_add_on_diag_z(matrix, alpha) + private subroutine dbcsr_add_on_diag_z(matrix, alpha)

    @@ -2910,7 +2910,7 @@

    Arguments

    • @@ -2925,7 +2925,7 @@

    Arguments

    @@ -2974,7 +2974,7 @@

    Arguments

    @@ -2989,7 +2989,7 @@

    Arguments

    @@ -3004,7 +3004,7 @@

    Arguments

    @@ -3019,7 +3019,7 @@

    Arguments

    @@ -3034,7 +3034,7 @@

    Arguments

    @@ -3073,7 +3073,7 @@

    Arguments

    @@ -3088,7 +3088,7 @@

    Arguments

    @@ -3103,7 +3103,7 @@

    Arguments

    @@ -3118,7 +3118,7 @@

    Arguments

    @@ -3133,7 +3133,7 @@

    Arguments

    @@ -3172,7 +3172,7 @@

    Arguments

    @@ -3187,7 +3187,7 @@

    Arguments

    @@ -3202,7 +3202,7 @@

    Arguments

    @@ -3217,7 +3217,7 @@

    Arguments

    @@ -3232,7 +3232,7 @@

    Arguments

    @@ -3271,7 +3271,7 @@

    Arguments

    @@ -3286,7 +3286,7 @@

    Arguments

    @@ -3301,7 +3301,7 @@

    Arguments

    @@ -3316,7 +3316,7 @@

    Arguments

    @@ -3331,7 +3331,7 @@

    Arguments

    @@ -3370,7 +3370,7 @@

    Arguments

    @@ -3385,7 +3385,7 @@

    Arguments

    @@ -3400,7 +3400,7 @@

    Arguments

    @@ -3415,7 +3415,7 @@

    Arguments

    @@ -3430,7 +3430,7 @@

    Arguments

    @@ -3453,14 +3453,14 @@

    Arguments

    - -

    public interface dbcsr_get_diag + +

    public interface dbcsr_get_diag

    @@ -3494,7 +3494,7 @@

    Arguments

    @@ -3514,7 +3514,7 @@

    Arguments

  • - private subroutine dbcsr_get_diag_d(matrix, diag) + private subroutine dbcsr_get_diag_d(matrix, diag)

    @@ -3533,7 +3533,7 @@

    Arguments

    • @@ -3548,7 +3548,7 @@

    Arguments

    @@ -3568,7 +3568,7 @@

    Arguments

  • - private subroutine dbcsr_get_diag_c(matrix, diag) + private subroutine dbcsr_get_diag_c(matrix, diag)

    @@ -3587,7 +3587,7 @@

    Arguments

    • @@ -3602,7 +3602,7 @@

    Arguments

    @@ -3622,7 +3622,7 @@

    Arguments

  • - private subroutine dbcsr_get_diag_z(matrix, diag) + private subroutine dbcsr_get_diag_z(matrix, diag)

    @@ -3641,7 +3641,7 @@

    Arguments

    • @@ -3656,7 +3656,7 @@

    Arguments

    @@ -3679,14 +3679,14 @@

    Arguments

    - -

    public interface dbcsr_set_diag + +

    public interface dbcsr_set_diag

    @@ -3720,7 +3720,7 @@

    Arguments

    @@ -3740,7 +3740,7 @@

    Arguments

  • - private subroutine dbcsr_set_diag_d(matrix, diag) + private subroutine dbcsr_set_diag_d(matrix, diag)

    @@ -3759,7 +3759,7 @@

    Arguments

    • @@ -3774,7 +3774,7 @@

    Arguments

    @@ -3794,7 +3794,7 @@

    Arguments

  • - private subroutine dbcsr_set_diag_c(matrix, diag) + private subroutine dbcsr_set_diag_c(matrix, diag)

    @@ -3813,7 +3813,7 @@

    Arguments

    • @@ -3828,7 +3828,7 @@

    Arguments

    @@ -3848,7 +3848,7 @@

    Arguments

  • - private subroutine dbcsr_set_diag_z(matrix, diag) + private subroutine dbcsr_set_diag_z(matrix, diag)

    @@ -3867,7 +3867,7 @@

    Arguments

    • @@ -3882,7 +3882,7 @@

    Arguments

    @@ -3931,7 +3931,7 @@

    Arguments

    @@ -3946,7 +3946,7 @@

    Arguments

    @@ -3992,7 +3992,7 @@

    Arguments

    @@ -4007,7 +4007,7 @@

    Arguments

    @@ -4053,7 +4053,7 @@

    Arguments

    @@ -4068,7 +4068,7 @@

    Arguments

    @@ -4114,7 +4114,7 @@

    Arguments

    @@ -4129,7 +4129,7 @@

    Arguments

    @@ -4175,7 +4175,7 @@

    Arguments

    @@ -4190,7 +4190,7 @@

    Arguments

    @@ -4367,7 +4367,7 @@

    -

    public function dbcsr_gershgorin_norm(matrix) result(norm) +

    public function dbcsr_gershgorin_norm(matrix) result(norm)

    @@ -4386,7 +4386,7 @@

    Arguments

    @@ -4412,7 +4412,7 @@

    -

    public function dbcsr_maxabs(matrix) result(norm) +

    public function dbcsr_maxabs(matrix) result(norm)

    @@ -4431,7 +4431,7 @@

    Arguments

    @@ -4457,7 +4457,7 @@

    -

    public function dbcsr_frobenius_norm(matrix, local) result(norm) +

    public function dbcsr_frobenius_norm(matrix, local) result(norm)

    @@ -4476,7 +4476,7 @@

    Arguments

    @@ -4491,7 +4491,7 @@

    Arguments

    @@ -4536,7 +4536,7 @@

    Arguments

    @@ -4551,7 +4551,7 @@

    Arguments

    @@ -4626,7 +4626,7 @@

    Arguments

    @@ -4667,7 +4667,7 @@

    -

    public function dbcsr_get_occupation(matrix) result(occupation) +

    public function dbcsr_get_occupation(matrix) result(occupation)

    @@ -4686,7 +4686,7 @@

    Arguments

    @@ -4717,7 +4717,7 @@

    Subroutines

    -

    public subroutine dbcsr_add_block_node(matrix, block_row, block_col, block) +

    public subroutine dbcsr_add_block_node(matrix, block_row, block_col, block)

    @@ -4739,7 +4739,7 @@

    Arguments

    @@ -4754,7 +4754,7 @@

    Arguments

    @@ -4770,7 +4770,7 @@

    Arguments

    @@ -4786,7 +4786,7 @@

    Arguments

    @@ -4826,7 +4826,7 @@

    Arguments

    @@ -4866,7 +4866,7 @@

    Arguments

    @@ -4906,7 +4906,7 @@

    Arguments

    @@ -4921,7 +4921,7 @@

    Arguments

    @@ -4936,7 +4936,7 @@

    Arguments

    @@ -4976,7 +4976,7 @@

    Arguments

    @@ -5105,7 +5105,7 @@

    Arguments

    @@ -5120,7 +5120,7 @@

    Arguments

    @@ -5135,7 +5135,7 @@

    Arguments

    @@ -5176,7 +5176,7 @@

    Arguments

    @@ -5191,7 +5191,7 @@

    Arguments

    @@ -5206,7 +5206,7 @@

    Arguments

    @@ -5221,7 +5221,7 @@

    Arguments

    @@ -5236,7 +5236,7 @@

    Arguments

    @@ -5257,7 +5257,7 @@

    Arguments

    -

    private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -5276,7 +5276,7 @@

    Arguments

    @@ -5291,7 +5291,7 @@

    Arguments

    @@ -5306,7 +5306,7 @@

    Arguments

    @@ -5321,7 +5321,7 @@

    Arguments

    @@ -5342,7 +5342,7 @@

    Arguments

    -

    private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -5361,7 +5361,7 @@

    Arguments

    @@ -5376,7 +5376,7 @@

    Arguments

    @@ -5391,7 +5391,7 @@

    Arguments

    @@ -5406,7 +5406,7 @@

    Arguments

    @@ -5427,7 +5427,7 @@

    Arguments

    -

    private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -5446,7 +5446,7 @@

    Arguments

    @@ -5461,7 +5461,7 @@

    Arguments

    @@ -5476,7 +5476,7 @@

    Arguments

    @@ -5491,7 +5491,7 @@

    Arguments

    @@ -5512,7 +5512,7 @@

    Arguments

    -

    private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar) +

    private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar)

    @@ -5531,7 +5531,7 @@

    Arguments

    @@ -5546,7 +5546,7 @@

    Arguments

    @@ -5561,7 +5561,7 @@

    Arguments

    @@ -5576,7 +5576,7 @@

    Arguments

    @@ -5616,7 +5616,7 @@

    Arguments

    @@ -5631,7 +5631,7 @@

    Arguments

    @@ -5652,11 +5652,11 @@

    Arguments

    -

    public subroutine dbcsr_function_of_elements(matrix_a, func, a0, a1, a2) +

    public subroutine dbcsr_function_of_elements(matrix_a, func, a0, a1, a2)

    -

    Computes various functions (defined by func) of matrix elements

    Read more… +

    Computes various functions (defined by func) of matrix elements

    Read more…

    Arguments

    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer(kind=int_8), intent(inout),
    - + complex(kind=real_4), intent(in),
    - + type(dbcsr_type), intent(in)
    - + character(len=*), private,
    - + logical, private,
    - + logical, private,
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + logical, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(in)
    - + type(dbcsr_scalar_type), intent(in),
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_scalar_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(in)
    - + type(dbcsr_scalar_type), intent(in),
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + logical, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8), intent(inout),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8), intent(inout),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8), intent(inout),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8), intent(inout),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8), intent(in),
    - + real(kind=real_4), intent(inout),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4), intent(inout),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4), intent(inout),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4), intent(inout),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4), intent(in),
    - + complex(kind=real_8), intent(inout),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8), intent(inout),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8), intent(inout),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8), intent(inout),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8), intent(in),
    - + complex(kind=real_4), intent(inout),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4), intent(inout),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4), intent(inout),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4), intent(inout),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4), intent(in),
    - + integer, private,
    - + integer, private,
    - + integer, private,
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_sp2d), intent(in)
    - + logical, intent(out),
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_dp2d), intent(in)
    - + logical, intent(out),
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_cp2d), intent(in)
    - + logical, intent(out),
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_zp2d), intent(in)
    - + logical, intent(out),
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_sp2d), intent(out)
    - + logical, intent(out),
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_dp2d), intent(out)
    - + logical, intent(out),
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_cp2d), intent(out)
    - + logical, intent(out),
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_zp2d), intent(out)
    - + logical, intent(out),
    - + type(btree_data_sp2d), intent(out),
    - + type(btree_data_dp2d), intent(out),
    - + type(btree_data_cp2d), intent(out),
    - + type(btree_data_zp2d), intent(out),
    - + real(kind=sp), public,
    - + logical, public
    - + real(kind=dp), public,
    - + logical, public
    - + complex(kind=sp), public,
    - + logical, public
    - + complex(kind=dp), public,
    - + logical, public
    - + integer, public
    - + integer, public
    - + type(btree_data_sp2d), public,
    - + type(btree_node_i8_sp2d), public,
    - + type(btree_node_i8_sp2d), public,
    - + integer, public
    - + integer, public
    - + type(btree_node_i8_sp2d), public,
    - + type(btree_node_structure_i8_sp2d), public
    - + integer, public
    - + integer, public
    - + type(btree_data_dp2d), public,
    - + type(btree_node_i8_dp2d), public,
    - + type(btree_node_i8_dp2d), public,
    - + integer, public
    - + integer, public
    - + type(btree_node_i8_dp2d), public,
    - + type(btree_node_structure_i8_dp2d), public
    - + integer, public
    - + integer, public
    - + type(btree_data_cp2d), public,
    - + type(btree_node_i8_cp2d), public,
    - + type(btree_node_i8_cp2d), public,
    - + integer, public
    - + integer, public
    - + type(btree_node_i8_cp2d), public,
    - + type(btree_node_structure_i8_cp2d), public
    - + integer, public
    - + integer, public
    - + type(btree_data_zp2d), public,
    - + type(btree_node_i8_zp2d), public,
    - + type(btree_node_i8_zp2d), public,
    - + integer, public
    - + integer, public
    - + type(btree_node_i8_zp2d), public,
    - + type(btree_node_structure_i8_zp2d), public
    - + integer, intent(in),
    - + type(btree_node_i8_sp2d),
    - + type(btree_data_sp2d), intent(out),
    - + type(btree_node_i8_sp2d),
    - + integer, intent(inout),
    - + type(btree_data_sp2d), intent(inout),
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_sp2d), intent(in)
    - + logical, intent(out),
    - + type(btree_node_i8_sp2d),
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_sp2d), intent(in)
    - + integer, intent(in),
    - + type(btree_node_i8_sp2d), intent(inout)
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_sp2d), intent(in)
    - + integer, intent(in)
    - + type(btree_node_i8_sp2d), intent(inout)
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_sp2d), intent(in)
    - + integer, intent(in)
    - + type(btree_node_i8_sp2d), intent(inout)
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_sp2d), intent(in)
    - + integer, intent(in)
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_sp2d), intent(in)
    - + type(btree_node_i8_sp2d),
    - + type(btree_node_i8_sp2d),
    - + integer(kind=keyt), intent(in)
    - + type(btree_data_sp2d), intent(out)
    - + logical, intent(out),
    - + integer(kind=keyt), intent(in)
    - + integer, intent(in)
    - + integer(kind=keyt), intent(in)
    - + integer, intent(in)
    - + integer(kind=keyt), intent(in)
    - + integer, intent(in)
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    - + integer(kind=keyt), intent(in)
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    - + type(btree_node_i8_dp2d),
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    - + integer(kind=keyt), intent(in)
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    - + type(btree_node_i8_cp2d),
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    - + integer(kind=keyt), intent(in)
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    - + type(btree_node_i8_zp2d),
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    - + integer(kind=keyt), intent(in)
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    - + integer(kind=keyt), intent(in)
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    - + integer(kind=keyt), intent(in)
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    - + character(len=1), public
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    - + character(len=1), public
    - + character(len=max_paramter_name_len), public
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    - + character(len=1), public
    - + character(len=max_paramter_name_len), public
    - + integer, public
    - + character(len=1), public
    - + character(len=max_paramter_name_len), public
    - + logical, public
    - + character(len=1), public
    - + character(len=max_paramter_name_len), public
    - + real(kind=real_8), public CONF_PAR_REAL(name="TAS_SPLIT_FACTOR", val=1.0_real_8, defval=1.0_real_8) +
    + + type(CONF_PAR_LOGICAL), + public + + ::USE_ACC_G2G =CONF_PAR_LOGICAL(name="USE_ACC_G2G", val=.FALSE., defval=.FALSE.) +
    - + class(CONF_PAR), intent(in)
    - + class(CONF_PAR), intent(inout)
    - + class(CONF_PAR_INT), intent(inout)
    - + class(CONF_PAR_MM_DRIVER), intent(inout)
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    - + integer, intent(in)
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    - + logical, private,
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    - + real(kind=real_8), intent(in)
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    - + character(len=*), intent(in)
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    - + logical, private,
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    - + integer, intent(in),
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    - + logical, intent(in),
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    - + type(call_stat_type), intent(in),
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    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=dp),
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    - + integer, intent(in),
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    - + type(dbcsr_data_obj), intent(in),
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    - + type(dbcsr_scalar_type), intent(in),
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    - + type(dbcsr_type), intent(in)
    - + real(kind=real_8), intent(in)
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    - + type(dbcsr_type), intent(inout)
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    - + complex(kind=real_8), intent(in)
    - + type(dbcsr_type), intent(inout)
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    - + complex(kind=real_4), intent(in)
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    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_8), intent(in)
    @@ -5671,7 +5671,7 @@

    Arguments

    @@ -5686,7 +5686,7 @@

    Arguments

    @@ -5701,7 +5701,7 @@

    Arguments

    @@ -5716,7 +5716,7 @@

    Arguments

    @@ -5731,7 +5731,7 @@

    Arguments

    @@ -5752,7 +5752,7 @@

    Arguments

    -

    public subroutine dbcsr_hadamard_product(matrix_a, matrix_b, matrix_c, b_assume_value) +

    public subroutine dbcsr_hadamard_product(matrix_a, matrix_b, matrix_c, b_assume_value)

    @@ -5772,7 +5772,7 @@

    Arguments

    @@ -5788,7 +5788,7 @@

    Arguments

    @@ -5804,7 +5804,7 @@

    Arguments

    @@ -5819,7 +5819,7 @@

    Arguments

    @@ -5840,7 +5840,7 @@

    Arguments

    -

    public subroutine dbcsr_init_random(matrix, keep_sparsity, mini_seed) +

    public subroutine dbcsr_init_random(matrix, keep_sparsity, mini_seed)

    @@ -5859,7 +5859,7 @@

    Arguments

    @@ -5874,7 +5874,7 @@

    Arguments

    @@ -5889,7 +5889,7 @@

    Arguments

    @@ -5910,7 +5910,7 @@

    Arguments

    -

    public subroutine dbcsr_get_block_diag(matrix, diag) +

    public subroutine dbcsr_get_block_diag(matrix, diag)

    @@ -5929,7 +5929,7 @@

    Arguments

    @@ -5944,7 +5944,7 @@

    Arguments

    @@ -5965,7 +5965,7 @@

    Arguments

    -

    public subroutine dbcsr_copy(matrix_b, matrix_a, name, keep_sparsity, shallow_data, keep_imaginary, matrix_type) +

    public subroutine dbcsr_copy(matrix_b, matrix_a, name, keep_sparsity, shallow_data, keep_imaginary, matrix_type)

    @@ -5984,7 +5984,7 @@

    Arguments

    @@ -5999,7 +5999,7 @@

    Arguments

    @@ -6014,7 +6014,7 @@

    Arguments

    @@ -6029,7 +6029,7 @@

    Arguments

    @@ -6047,7 +6047,7 @@

    Arguments

    @@ -6065,7 +6065,7 @@

    Arguments

    @@ -6083,7 +6083,7 @@

    Arguments

    @@ -6104,7 +6104,7 @@

    Arguments

    -

    public subroutine dbcsr_copy_into_existing(matrix_b, matrix_a) +

    public subroutine dbcsr_copy_into_existing(matrix_b, matrix_a)

    @@ -6123,7 +6123,7 @@

    Arguments

    @@ -6138,7 +6138,7 @@

    Arguments

    @@ -6178,7 +6178,7 @@

    Arguments

    @@ -6193,7 +6193,7 @@

    Arguments

    @@ -6233,7 +6233,7 @@

    Arguments

    @@ -6248,7 +6248,7 @@

    Arguments

    @@ -6263,7 +6263,7 @@

    Arguments

    @@ -6310,7 +6310,7 @@

    Arguments

    @@ -6350,7 +6350,7 @@

    Arguments

    @@ -6365,7 +6365,7 @@

    Arguments

    @@ -6412,7 +6412,7 @@

    Arguments

    @@ -6433,7 +6433,7 @@

    Arguments

    -

    public subroutine dbcsr_triu(matrix_a) +

    public subroutine dbcsr_triu(matrix_a)

    @@ -6452,7 +6452,7 @@

    Arguments

    @@ -6492,7 +6492,7 @@

    Arguments

    @@ -6507,7 +6507,7 @@

    Arguments

    @@ -6522,7 +6522,7 @@

    Arguments

    @@ -6537,7 +6537,7 @@

    Arguments

    @@ -6552,7 +6552,7 @@

    Arguments

    @@ -6573,7 +6573,7 @@

    Arguments

    -

    public subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar) +

    public subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar)

    @@ -6592,7 +6592,7 @@

    Arguments

    @@ -6607,7 +6607,7 @@

    Arguments

    @@ -6622,7 +6622,7 @@

    Arguments

    @@ -6643,7 +6643,7 @@

    Arguments

    -

    public subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector) +

    public subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)

    @@ -6662,7 +6662,7 @@

    Arguments

    @@ -6677,7 +6677,7 @@

    Arguments

    @@ -6692,7 +6692,7 @@

    Arguments

    @@ -6732,7 +6732,7 @@

    Arguments

    @@ -6747,7 +6747,7 @@

    Arguments

    @@ -6762,7 +6762,7 @@

    Arguments

    @@ -6783,7 +6783,7 @@

    Arguments

    -

    public subroutine dbcsr_sum_replicated(matrix) +

    public subroutine dbcsr_sum_replicated(matrix)

    @@ -6802,7 +6802,7 @@

    Arguments

    @@ -6823,7 +6823,7 @@

    Arguments

    -

    public subroutine dbcsr_get_info(matrix, nblkrows_total, nblkcols_total, nfullrows_total, nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, my_prow, my_pcol, local_rows, local_cols, proc_row_dist, proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, data_area, matrix_type, data_type, group) +

    public subroutine dbcsr_get_info(matrix, nblkrows_total, nblkcols_total, nfullrows_total, nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, my_prow, my_pcol, local_rows, local_cols, proc_row_dist, proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, data_area, matrix_type, data_type, group)

    @@ -6842,7 +6842,7 @@

    Arguments

    @@ -6857,7 +6857,7 @@

    Arguments

    @@ -6872,7 +6872,7 @@

    Arguments

    @@ -6887,7 +6887,7 @@

    Arguments

    @@ -6902,7 +6902,7 @@

    Arguments

    @@ -6917,7 +6917,7 @@

    Arguments

    @@ -6932,7 +6932,7 @@

    Arguments

    @@ -6947,7 +6947,7 @@

    Arguments

    @@ -6962,7 +6962,7 @@

    Arguments

    @@ -6977,7 +6977,7 @@

    Arguments

    @@ -6992,7 +6992,7 @@

    Arguments

    @@ -7007,7 +7007,7 @@

    Arguments

    @@ -7022,7 +7022,7 @@

    Arguments

    @@ -7037,7 +7037,7 @@

    Arguments

    @@ -7052,7 +7052,7 @@

    Arguments

    @@ -7067,7 +7067,7 @@

    Arguments

    @@ -7082,7 +7082,7 @@

    Arguments

    @@ -7097,7 +7097,7 @@

    Arguments

    @@ -7112,7 +7112,7 @@

    Arguments

    @@ -7127,7 +7127,7 @@

    Arguments

    @@ -7142,7 +7142,7 @@

    Arguments

    @@ -7157,7 +7157,7 @@

    Arguments

    @@ -7172,7 +7172,7 @@

    Arguments

    @@ -7187,7 +7187,7 @@

    Arguments

    @@ -7202,7 +7202,7 @@

    Arguments

    @@ -7223,7 +7223,7 @@

    Arguments

    -

    public subroutine dbcsr_clear(matrix) +

    public subroutine dbcsr_clear(matrix)

    @@ -7242,7 +7242,7 @@

    Arguments

    @@ -7282,7 +7282,7 @@

    Arguments

    @@ -7297,7 +7297,7 @@

    Arguments

    @@ -7338,7 +7338,7 @@

    Arguments

    @@ -7354,7 +7354,7 @@

    Arguments

    @@ -7370,7 +7370,7 @@

    Arguments

    @@ -7391,7 +7391,7 @@

    Arguments

    -

    private subroutine dbcsr_trace_d(matrix_a, trace) +

    private subroutine dbcsr_trace_d(matrix_a, trace)

    @@ -7410,7 +7410,7 @@

    Arguments

    @@ -7425,7 +7425,7 @@

    Arguments

    @@ -7446,7 +7446,7 @@

    Arguments

    -

    private subroutine dbcsr_dot_d(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_d(matrix_a, matrix_b, trace)

    @@ -7465,7 +7465,7 @@

    Arguments

    @@ -7481,7 +7481,7 @@

    Arguments

    @@ -7497,7 +7497,7 @@

    Arguments

    @@ -7518,7 +7518,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)

    @@ -7537,7 +7537,7 @@

    Arguments

    @@ -7552,7 +7552,7 @@

    Arguments

    @@ -7567,7 +7567,7 @@

    Arguments

    @@ -7588,7 +7588,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_d(matrix_a, alpha, side)

    @@ -7607,7 +7607,7 @@

    Arguments

    @@ -7622,7 +7622,7 @@

    Arguments

    @@ -7637,7 +7637,7 @@

    Arguments

    @@ -7658,7 +7658,7 @@

    Arguments

    -

    private subroutine dbcsr_set_d(matrix, alpha) +

    private subroutine dbcsr_set_d(matrix, alpha)

    @@ -7677,7 +7677,7 @@

    Arguments

    @@ -7692,7 +7692,7 @@

    Arguments

    @@ -7732,7 +7732,7 @@

    Arguments

    @@ -7747,7 +7747,7 @@

    Arguments

    @@ -7762,7 +7762,7 @@

    Arguments

    @@ -7777,7 +7777,7 @@

    Arguments

    @@ -7792,7 +7792,7 @@

    Arguments

    @@ -7813,7 +7813,7 @@

    Arguments

    -

    private subroutine dbcsr_set_diag_d(matrix, diag) +

    private subroutine dbcsr_set_diag_d(matrix, diag)

    @@ -7832,7 +7832,7 @@

    Arguments

    @@ -7847,7 +7847,7 @@

    Arguments

    @@ -7868,7 +7868,7 @@

    Arguments

    -

    private subroutine dbcsr_get_diag_d(matrix, diag) +

    private subroutine dbcsr_get_diag_d(matrix, diag)

    @@ -7887,7 +7887,7 @@

    Arguments

    @@ -7902,7 +7902,7 @@

    Arguments

    @@ -7923,7 +7923,7 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_d(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_d(matrix, alpha)

    @@ -7942,7 +7942,7 @@

    Arguments

    @@ -7957,7 +7957,7 @@

    Arguments

    @@ -7997,7 +7997,7 @@

    Arguments

    @@ -8012,7 +8012,7 @@

    Arguments

    @@ -8057,7 +8057,7 @@

    Arguments

    @@ -8072,7 +8072,7 @@

    Arguments

    @@ -8102,7 +8102,7 @@

    Arguments

    @@ -8117,7 +8117,7 @@

    Arguments

    @@ -8157,7 +8157,7 @@

    Arguments

    @@ -8172,7 +8172,7 @@

    Arguments

    @@ -8187,7 +8187,7 @@

    Arguments

    @@ -8202,7 +8202,7 @@

    Arguments

    @@ -8217,7 +8217,7 @@

    Arguments

    @@ -8268,7 +8268,7 @@

    Arguments

    -

    private subroutine dbcsr_trace_s(matrix_a, trace) +

    private subroutine dbcsr_trace_s(matrix_a, trace)

    @@ -8287,7 +8287,7 @@

    Arguments

    @@ -8302,7 +8302,7 @@

    Arguments

    @@ -8323,7 +8323,7 @@

    Arguments

    -

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_s(matrix_a, matrix_b, trace)

    @@ -8342,7 +8342,7 @@

    Arguments

    @@ -8358,7 +8358,7 @@

    Arguments

    @@ -8374,7 +8374,7 @@

    Arguments

    @@ -8395,7 +8395,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column)

    @@ -8414,7 +8414,7 @@

    Arguments

    @@ -8429,7 +8429,7 @@

    Arguments

    @@ -8444,7 +8444,7 @@

    Arguments

    @@ -8465,7 +8465,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_s(matrix_a, alpha, side)

    @@ -8484,7 +8484,7 @@

    Arguments

    @@ -8499,7 +8499,7 @@

    Arguments

    @@ -8514,7 +8514,7 @@

    Arguments

    @@ -8535,7 +8535,7 @@

    Arguments

    -

    private subroutine dbcsr_set_s(matrix, alpha) +

    private subroutine dbcsr_set_s(matrix, alpha)

    @@ -8554,7 +8554,7 @@

    Arguments

    @@ -8569,7 +8569,7 @@

    Arguments

    @@ -8609,7 +8609,7 @@

    Arguments

    @@ -8624,7 +8624,7 @@

    Arguments

    @@ -8639,7 +8639,7 @@

    Arguments

    @@ -8654,7 +8654,7 @@

    Arguments

    @@ -8669,7 +8669,7 @@

    Arguments

    @@ -8690,7 +8690,7 @@

    Arguments

    -

    private subroutine dbcsr_set_diag_s(matrix, diag) +

    private subroutine dbcsr_set_diag_s(matrix, diag)

    @@ -8709,7 +8709,7 @@

    Arguments

    @@ -8724,7 +8724,7 @@

    Arguments

    @@ -8745,7 +8745,7 @@

    Arguments

    -

    private subroutine dbcsr_get_diag_s(matrix, diag) +

    private subroutine dbcsr_get_diag_s(matrix, diag)

    @@ -8764,7 +8764,7 @@

    Arguments

    @@ -8779,7 +8779,7 @@

    Arguments

    @@ -8800,7 +8800,7 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_s(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_s(matrix, alpha)

    @@ -8819,7 +8819,7 @@

    Arguments

    @@ -8834,7 +8834,7 @@

    Arguments

    @@ -8874,7 +8874,7 @@

    Arguments

    @@ -8889,7 +8889,7 @@

    Arguments

    @@ -8934,7 +8934,7 @@

    Arguments

    @@ -8949,7 +8949,7 @@

    Arguments

    @@ -8979,7 +8979,7 @@

    Arguments

    @@ -8994,7 +8994,7 @@

    Arguments

    @@ -9034,7 +9034,7 @@

    Arguments

    @@ -9049,7 +9049,7 @@

    Arguments

    @@ -9064,7 +9064,7 @@

    Arguments

    @@ -9079,7 +9079,7 @@

    Arguments

    @@ -9094,7 +9094,7 @@

    Arguments

    @@ -9145,7 +9145,7 @@

    Arguments

    -

    private subroutine dbcsr_trace_z(matrix_a, trace) +

    private subroutine dbcsr_trace_z(matrix_a, trace)

    @@ -9164,7 +9164,7 @@

    Arguments

    @@ -9179,7 +9179,7 @@

    Arguments

    @@ -9200,7 +9200,7 @@

    Arguments

    -

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_z(matrix_a, matrix_b, trace)

    @@ -9219,7 +9219,7 @@

    Arguments

    @@ -9235,7 +9235,7 @@

    Arguments

    @@ -9251,7 +9251,7 @@

    Arguments

    @@ -9272,7 +9272,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column)

    @@ -9291,7 +9291,7 @@

    Arguments

    @@ -9306,7 +9306,7 @@

    Arguments

    @@ -9321,7 +9321,7 @@

    Arguments

    @@ -9342,7 +9342,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_z(matrix_a, alpha, side)

    @@ -9361,7 +9361,7 @@

    Arguments

    @@ -9376,7 +9376,7 @@

    Arguments

    @@ -9391,7 +9391,7 @@

    Arguments

    @@ -9412,7 +9412,7 @@

    Arguments

    -

    private subroutine dbcsr_set_z(matrix, alpha) +

    private subroutine dbcsr_set_z(matrix, alpha)

    @@ -9431,7 +9431,7 @@

    Arguments

    @@ -9446,7 +9446,7 @@

    Arguments

    @@ -9486,7 +9486,7 @@

    Arguments

    @@ -9501,7 +9501,7 @@

    Arguments

    @@ -9516,7 +9516,7 @@

    Arguments

    @@ -9531,7 +9531,7 @@

    Arguments

    @@ -9546,7 +9546,7 @@

    Arguments

    @@ -9567,7 +9567,7 @@

    Arguments

    -

    private subroutine dbcsr_set_diag_z(matrix, diag) +

    private subroutine dbcsr_set_diag_z(matrix, diag)

    @@ -9586,7 +9586,7 @@

    Arguments

    @@ -9601,7 +9601,7 @@

    Arguments

    @@ -9622,7 +9622,7 @@

    Arguments

    -

    private subroutine dbcsr_get_diag_z(matrix, diag) +

    private subroutine dbcsr_get_diag_z(matrix, diag)

    @@ -9641,7 +9641,7 @@

    Arguments

    @@ -9656,7 +9656,7 @@

    Arguments

    @@ -9677,7 +9677,7 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_z(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_z(matrix, alpha)

    @@ -9696,7 +9696,7 @@

    Arguments

    @@ -9711,7 +9711,7 @@

    Arguments

    @@ -9751,7 +9751,7 @@

    Arguments

    @@ -9766,7 +9766,7 @@

    Arguments

    @@ -9811,7 +9811,7 @@

    Arguments

    @@ -9826,7 +9826,7 @@

    Arguments

    @@ -9856,7 +9856,7 @@

    Arguments

    @@ -9871,7 +9871,7 @@

    Arguments

    @@ -9911,7 +9911,7 @@

    Arguments

    @@ -9926,7 +9926,7 @@

    Arguments

    @@ -9941,7 +9941,7 @@

    Arguments

    @@ -9956,7 +9956,7 @@

    Arguments

    @@ -9971,7 +9971,7 @@

    Arguments

    @@ -10022,7 +10022,7 @@

    Arguments

    -

    private subroutine dbcsr_trace_c(matrix_a, trace) +

    private subroutine dbcsr_trace_c(matrix_a, trace)

    @@ -10041,7 +10041,7 @@

    Arguments

    @@ -10056,7 +10056,7 @@

    Arguments

    @@ -10077,7 +10077,7 @@

    Arguments

    -

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, trace) +

    private subroutine dbcsr_dot_c(matrix_a, matrix_b, trace)

    @@ -10096,7 +10096,7 @@

    Arguments

    @@ -10112,7 +10112,7 @@

    Arguments

    @@ -10128,7 +10128,7 @@

    Arguments

    @@ -10149,7 +10149,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column) +

    private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column)

    @@ -10168,7 +10168,7 @@

    Arguments

    @@ -10183,7 +10183,7 @@

    Arguments

    @@ -10198,7 +10198,7 @@

    Arguments

    @@ -10219,7 +10219,7 @@

    Arguments

    -

    private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side) +

    private subroutine dbcsr_scale_by_vector_c(matrix_a, alpha, side)

    @@ -10238,7 +10238,7 @@

    Arguments

    @@ -10253,7 +10253,7 @@

    Arguments

    @@ -10268,7 +10268,7 @@

    Arguments

    @@ -10289,7 +10289,7 @@

    Arguments

    -

    private subroutine dbcsr_set_c(matrix, alpha) +

    private subroutine dbcsr_set_c(matrix, alpha)

    @@ -10308,7 +10308,7 @@

    Arguments

    @@ -10323,7 +10323,7 @@

    Arguments

    @@ -10363,7 +10363,7 @@

    Arguments

    @@ -10378,7 +10378,7 @@

    Arguments

    @@ -10393,7 +10393,7 @@

    Arguments

    @@ -10408,7 +10408,7 @@

    Arguments

    @@ -10423,7 +10423,7 @@

    Arguments

    @@ -10444,7 +10444,7 @@

    Arguments

    -

    private subroutine dbcsr_set_diag_c(matrix, diag) +

    private subroutine dbcsr_set_diag_c(matrix, diag)

    @@ -10463,7 +10463,7 @@

    Arguments

    @@ -10478,7 +10478,7 @@

    Arguments

    @@ -10499,7 +10499,7 @@

    Arguments

    -

    private subroutine dbcsr_get_diag_c(matrix, diag) +

    private subroutine dbcsr_get_diag_c(matrix, diag)

    @@ -10518,7 +10518,7 @@

    Arguments

    @@ -10533,7 +10533,7 @@

    Arguments

    @@ -10554,7 +10554,7 @@

    Arguments

    -

    private subroutine dbcsr_add_on_diag_c(matrix, alpha) +

    private subroutine dbcsr_add_on_diag_c(matrix, alpha)

    @@ -10573,7 +10573,7 @@

    Arguments

    @@ -10588,7 +10588,7 @@

    Arguments

    @@ -10628,7 +10628,7 @@

    Arguments

    @@ -10643,7 +10643,7 @@

    Arguments

    @@ -10688,7 +10688,7 @@

    Arguments

    @@ -10703,7 +10703,7 @@

    Arguments

    @@ -10733,7 +10733,7 @@

    Arguments

    @@ -10748,7 +10748,7 @@

    Arguments

    @@ -10788,7 +10788,7 @@

    Arguments

    @@ -10803,7 +10803,7 @@

    Arguments

    @@ -10818,7 +10818,7 @@

    Arguments

    @@ -10833,7 +10833,7 @@

    Arguments

    @@ -10848,7 +10848,7 @@

    Arguments

    diff --git a/develop/module/dbcsr_print_messages.html b/develop/module/dbcsr_print_messages.html index 0c62893adc3..1372087d739 100644 --- a/develop/module/dbcsr_print_messages.html +++ b/develop/module/dbcsr_print_messages.html @@ -113,7 +113,7 @@

    Variables

    @@ -195,7 +195,7 @@

    Variables

    @@ -244,7 +244,7 @@

    Arguments

    @@ -259,7 +259,7 @@

    Arguments

    @@ -289,7 +289,7 @@

    Arguments

    diff --git a/develop/module/dbcsr_ptr_util.html b/develop/module/dbcsr_ptr_util.html index 6a43ef4df97..6a643cdf1e8 100644 --- a/develop/module/dbcsr_ptr_util.html +++ b/develop/module/dbcsr_ptr_util.html @@ -113,8 +113,8 @@

    Variables

    @@ -244,11 +244,11 @@

    Uses

    • @@ -273,7 +273,7 @@

    Variables

    @@ -290,7 +290,7 @@

    Variables

    @@ -342,7 +342,7 @@

    Arguments

    @@ -372,7 +372,7 @@

    Arguments

    @@ -387,7 +387,7 @@

    Arguments

    @@ -402,7 +402,7 @@

    Arguments

    @@ -417,7 +417,7 @@

    Arguments

    @@ -433,7 +433,7 @@

    Arguments

    @@ -488,7 +488,7 @@

    Arguments

    @@ -518,7 +518,7 @@

    Arguments

    @@ -533,7 +533,7 @@

    Arguments

    @@ -548,7 +548,7 @@

    Arguments

    @@ -563,7 +563,7 @@

    Arguments

    @@ -579,7 +579,7 @@

    Arguments

    @@ -634,7 +634,7 @@

    Arguments

    @@ -664,7 +664,7 @@

    Arguments

    @@ -679,7 +679,7 @@

    Arguments

    @@ -694,7 +694,7 @@

    Arguments

    @@ -709,7 +709,7 @@

    Arguments

    @@ -725,7 +725,7 @@

    Arguments

    @@ -780,7 +780,7 @@

    Arguments

    @@ -810,7 +810,7 @@

    Arguments

    @@ -825,7 +825,7 @@

    Arguments

    @@ -840,7 +840,7 @@

    Arguments

    @@ -855,7 +855,7 @@

    Arguments

    @@ -871,7 +871,7 @@

    Arguments

    @@ -926,7 +926,7 @@

    Arguments

    @@ -956,7 +956,7 @@

    Arguments

    @@ -971,7 +971,7 @@

    Arguments

    @@ -986,7 +986,7 @@

    Arguments

    @@ -1001,7 +1001,7 @@

    Arguments

    @@ -1017,7 +1017,7 @@

    Arguments

    @@ -1072,7 +1072,7 @@

    Arguments

    @@ -1102,7 +1102,7 @@

    Arguments

    @@ -1117,7 +1117,7 @@

    Arguments

    @@ -1132,7 +1132,7 @@

    Arguments

    @@ -1147,7 +1147,7 @@

    Arguments

    @@ -1163,7 +1163,7 @@

    Arguments

    @@ -1244,7 +1244,7 @@

    Arguments

    @@ -1260,7 +1260,7 @@

    Arguments

    @@ -1322,7 +1322,7 @@

    Arguments

    @@ -1338,7 +1338,7 @@

    Arguments

    @@ -1400,7 +1400,7 @@

    Arguments

    @@ -1416,7 +1416,7 @@

    Arguments

    @@ -1478,7 +1478,7 @@

    Arguments

    @@ -1494,7 +1494,7 @@

    Arguments

    @@ -1556,7 +1556,7 @@

    Arguments

    @@ -1572,7 +1572,7 @@

    Arguments

    @@ -1634,7 +1634,7 @@

    Arguments

    @@ -1650,7 +1650,7 @@

    Arguments

    @@ -1711,7 +1711,7 @@

    Arguments

    @@ -1726,7 +1726,7 @@

    Arguments

    @@ -1811,7 +1811,7 @@

    Arguments

    @@ -1826,7 +1826,7 @@

    Arguments

    @@ -1896,7 +1896,7 @@

    Arguments

    @@ -1911,7 +1911,7 @@

    Arguments

    @@ -1981,7 +1981,7 @@

    Arguments

    @@ -1996,7 +1996,7 @@

    Arguments

    @@ -2066,7 +2066,7 @@

    Arguments

    @@ -2081,7 +2081,7 @@

    Arguments

    @@ -2151,7 +2151,7 @@

    Arguments

    @@ -2166,7 +2166,7 @@

    Arguments

    @@ -2236,7 +2236,7 @@

    Arguments

    @@ -2251,7 +2251,7 @@

    Arguments

    @@ -2345,7 +2345,7 @@

    Arguments

    @@ -2414,7 +2414,7 @@

    Arguments

    @@ -2483,7 +2483,7 @@

    Arguments

    @@ -2552,7 +2552,7 @@

    Arguments

    @@ -2621,7 +2621,7 @@

    Arguments

    @@ -2690,7 +2690,7 @@

    Arguments

    @@ -2754,7 +2754,7 @@

    Arguments

    @@ -2808,7 +2808,7 @@

    Arguments

    @@ -2862,7 +2862,7 @@

    Arguments

    @@ -2916,7 +2916,7 @@

    Arguments

    @@ -2970,7 +2970,7 @@

    Arguments

    @@ -3024,7 +3024,7 @@

    Arguments

    @@ -3073,7 +3073,7 @@

    Arguments

    @@ -3088,7 +3088,7 @@

    Arguments

    @@ -3142,7 +3142,7 @@

    Arguments

    @@ -3157,7 +3157,7 @@

    Arguments

    @@ -3211,7 +3211,7 @@

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    @@ -4129,7 +4129,7 @@

    Components

    @@ -4146,7 +4146,7 @@

    Components

    @@ -4180,7 +4180,7 @@

    Components

    @@ -4197,7 +4197,7 @@

    Components

    @@ -4214,7 +4214,7 @@

    Components

    @@ -4248,7 +4248,7 @@

    Components

    @@ -4282,7 +4282,7 @@

    Components

    @@ -4299,7 +4299,7 @@

    Components

    @@ -4414,7 +4414,7 @@

    Components

    @@ -4578,7 +4578,7 @@

    Components

    @@ -4644,7 +4644,7 @@

    Components

    @@ -4710,7 +4710,7 @@

    Components

    @@ -4761,7 +4761,7 @@

    Components

    diff --git a/develop/module/dbcsr_work_operations.html b/develop/module/dbcsr_work_operations.html index 7b5e5b1e493..a86a2aaf111 100644 --- a/develop/module/dbcsr_work_operations.html +++ b/develop/module/dbcsr_work_operations.html @@ -113,8 +113,8 @@

    Variables

    @@ -214,24 +214,24 @@

    Uses

    @@ -256,7 +256,7 @@

    Variables

    @@ -273,7 +273,7 @@

    Variables

    @@ -329,7 +329,7 @@

    Arguments

    @@ -344,7 +344,7 @@

    Arguments

    @@ -359,7 +359,7 @@

    Arguments

    @@ -374,7 +374,7 @@

    Arguments

    @@ -389,7 +389,7 @@

    Arguments

    @@ -404,7 +404,7 @@

    Arguments

    @@ -419,7 +419,7 @@

    Arguments

    @@ -434,7 +434,7 @@

    Arguments

    @@ -449,7 +449,7 @@

    Arguments

    @@ -465,7 +465,7 @@

    Arguments

    @@ -496,7 +496,7 @@

    Arguments

    @@ -558,7 +558,7 @@

    Arguments

    @@ -573,7 +573,7 @@

    Arguments

    @@ -588,7 +588,7 @@

    Arguments

    @@ -603,7 +603,7 @@

    Arguments

    @@ -619,7 +619,7 @@

    Arguments

    @@ -635,7 +635,7 @@

    Arguments

    @@ -706,7 +706,7 @@

    Arguments

    @@ -721,7 +721,7 @@

    Arguments

    @@ -736,7 +736,7 @@

    Arguments

    @@ -751,7 +751,7 @@

    Arguments

    @@ -766,7 +766,7 @@

    Arguments

    @@ -781,7 +781,7 @@

    Arguments

    @@ -796,7 +796,7 @@

    Arguments

    @@ -811,7 +811,7 @@

    Arguments

    @@ -826,7 +826,7 @@

    Arguments

    @@ -841,7 +841,7 @@

    Arguments

    @@ -856,7 +856,7 @@

    Arguments

    @@ -886,7 +886,7 @@

    Arguments

    @@ -946,7 +946,7 @@

    Arguments

    @@ -961,7 +961,7 @@

    Arguments

    @@ -976,7 +976,7 @@

    Arguments

    @@ -991,7 +991,7 @@

    Arguments

    @@ -1073,7 +1073,7 @@

    Components

    @@ -1122,7 +1122,7 @@

    Arguments

    @@ -1168,7 +1168,7 @@

    Arguments

    @@ -1184,7 +1184,7 @@

    Arguments

    @@ -1200,7 +1200,7 @@

    Arguments

    @@ -1250,7 +1250,7 @@

    Arguments

    @@ -1265,7 +1265,7 @@

    Arguments

    @@ -1280,7 +1280,7 @@

    Arguments

    @@ -1295,7 +1295,7 @@

    Arguments

    @@ -1310,7 +1310,7 @@

    Arguments

    @@ -1325,7 +1325,7 @@

    Arguments

    @@ -1340,7 +1340,7 @@

    Arguments

    @@ -1355,7 +1355,7 @@

    Arguments

    @@ -1370,7 +1370,7 @@

    Arguments

    @@ -1386,7 +1386,7 @@

    Arguments

    @@ -1417,7 +1417,7 @@

    Arguments

    @@ -1479,7 +1479,7 @@

    Arguments

    @@ -1494,7 +1494,7 @@

    Arguments

    @@ -1509,7 +1509,7 @@

    Arguments

    @@ -1524,7 +1524,7 @@

    Arguments

    @@ -1540,7 +1540,7 @@

    Arguments

    @@ -1556,7 +1556,7 @@

    Arguments

    @@ -1628,7 +1628,7 @@

    Arguments

    @@ -1643,7 +1643,7 @@

    Arguments

    @@ -1658,7 +1658,7 @@

    Arguments

    @@ -1673,7 +1673,7 @@

    Arguments

    @@ -1688,7 +1688,7 @@

    Arguments

    @@ -1703,7 +1703,7 @@

    Arguments

    @@ -1718,7 +1718,7 @@

    Arguments

    @@ -1733,7 +1733,7 @@

    Arguments

    @@ -1748,7 +1748,7 @@

    Arguments

    @@ -1763,7 +1763,7 @@

    Arguments

    @@ -1778,7 +1778,7 @@

    Arguments

    @@ -1808,7 +1808,7 @@

    Arguments

    @@ -1868,7 +1868,7 @@

    Arguments

    @@ -1883,7 +1883,7 @@

    Arguments

    @@ -1898,7 +1898,7 @@

    Arguments

    @@ -1913,7 +1913,7 @@

    Arguments

    @@ -1983,7 +1983,7 @@

    Arguments

    @@ -1998,7 +1998,7 @@

    Arguments

    @@ -2045,7 +2045,7 @@

    Arguments

    @@ -2085,7 +2085,7 @@

    Arguments

    @@ -2134,7 +2134,7 @@

    Arguments

    @@ -2166,7 +2166,7 @@

    Arguments

    @@ -2209,7 +2209,7 @@

    Arguments

    @@ -2264,7 +2264,7 @@

    Arguments

    @@ -2321,7 +2321,7 @@

    Arguments

    @@ -2361,7 +2361,7 @@

    Arguments

    @@ -2376,7 +2376,7 @@

    Arguments

    @@ -2417,7 +2417,7 @@

    Arguments

    @@ -2432,7 +2432,7 @@

    Arguments

    @@ -2462,7 +2462,7 @@

    Arguments

    @@ -2502,7 +2502,7 @@

    Arguments

    @@ -2542,7 +2542,7 @@

    Arguments

    @@ -2583,7 +2583,7 @@

    Arguments

    @@ -2598,7 +2598,7 @@

    Arguments

    @@ -2614,7 +2614,7 @@

    Arguments

    @@ -2630,7 +2630,7 @@

    Arguments

    @@ -2645,7 +2645,7 @@

    Arguments

    @@ -2685,7 +2685,7 @@

    Arguments

    @@ -2785,7 +2785,7 @@

    Arguments

    @@ -2840,7 +2840,7 @@

    Arguments

    @@ -2855,7 +2855,7 @@

    Arguments

    @@ -2990,7 +2990,7 @@

    Arguments

    @@ -3005,7 +3005,7 @@

    Arguments

    @@ -3075,7 +3075,7 @@

    Arguments

    @@ -3115,7 +3115,7 @@

    Arguments

    @@ -3155,7 +3155,7 @@

    Arguments

    @@ -3195,7 +3195,7 @@

    Arguments

    diff --git a/develop/page/2-user-guide/1-installation/index.html b/develop/page/2-user-guide/1-installation/index.html index 86dabf27430..dd02a1f7f53 100644 --- a/develop/page/2-user-guide/1-installation/index.html +++ b/develop/page/2-user-guide/1-installation/index.html @@ -217,7 +217,6 @@

    Build

    -DUSE_ACCEL=<opencl|cuda|hip> -DWITH_CUDA_PROFILING=<OFF|ON> -DWITH_HIP_PROFILING=<OFF|ON> --DWITH_G2G=<OFF|ON> -DWITH_C_API=<ON|OFF> -DWITH_EXAMPLES=<ON|OFF> -DWITH_GPU=<P100|K20X|K40|K80|V100|Mi50|Mi100|Mi250> diff --git a/develop/page/3-developer-guide/3-programming/1-overview/index.html b/develop/page/3-developer-guide/3-programming/1-overview/index.html index c7b21768cec..32c42111399 100644 --- a/develop/page/3-developer-guide/3-programming/1-overview/index.html +++ b/develop/page/3-developer-guide/3-programming/1-overview/index.html @@ -268,11 +268,6 @@

    List of Macros used in the code

    - - - - -
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + real(kind=dp), intent(in),
    - + real(kind=dp), intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + real(kind=dp), intent(in),
    - + type(dbcsr_type), intent(inout)
    - + logical,
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + character(len=*), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + character(len=1), intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + character(len=*), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_scalar_type), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + real(kind=real_8), intent(out)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + real(kind=real_8), intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + type(dbcsr_distribution_obj), intent(out),
    - + character(len=*), intent(out),
    - + type(dbcsr_data_obj), intent(out),
    - + character(len=1),
    - + integer,
    - + type(mp_comm_type), intent(out),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + real(kind=real_8), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + real(kind=real_8), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + real(kind=real_8), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + real(kind=real_8), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_8), intent(in),
    - + character(len=*), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_8), intent(in),
    - + type(dbcsr_type), intent(in)
    - + real(kind=real_8), intent(out),
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in)
    - + logical, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(in)
    - + logical, intent(in)
    - + type(dbcsr_type), intent(in)
    - + real(kind=real_4), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + real(kind=real_4), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_4), intent(in),
    - + character(len=*), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_4), intent(in),
    - + type(dbcsr_type), intent(in)
    - + real(kind=real_4), intent(out),
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in)
    - + logical, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(in)
    - + logical, intent(in)
    - + type(dbcsr_type), intent(in)
    - + complex(kind=real_8), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + complex(kind=real_8), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_8), intent(in),
    - + character(len=*), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_8), intent(in),
    - + type(dbcsr_type), intent(in)
    - + complex(kind=real_8), intent(out),
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in)
    - + logical, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(in)
    - + logical, intent(in)
    - + type(dbcsr_type), intent(in)
    - + complex(kind=real_4), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + complex(kind=real_4), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_4), intent(in),
    - + character(len=*), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_4), intent(in),
    - + type(dbcsr_type), intent(in)
    - + complex(kind=real_4), intent(out),
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in)
    - + logical, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(in)
    - + logical, intent(in)
    - + character(len=*), private,
    - + character(len=*), intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + character(len=*), private,
    - + logical, private,
    - + integer(kind=int_4),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + integer(kind=int_8),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + real(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + real(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + complex(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + complex(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer(kind=int_4),
    - + integer, intent(in)
    - + integer(kind=int_8),
    - + integer, intent(in)
    - + real(kind=real_4),
    - + integer, intent(in)
    - + real(kind=real_8),
    - + integer, intent(in)
    - + complex(kind=real_4),
    - + integer, intent(in)
    - + complex(kind=real_8),
    - + integer, intent(in)
    - + integer(kind=int_4),
    - + integer, intent(in),
    - + integer(kind=int_8),
    - + integer, intent(in),
    - + real(kind=real_4),
    - + integer, intent(in),
    - + real(kind=real_8),
    - + integer, intent(in),
    - + complex(kind=real_4),
    - + integer, intent(in),
    - + complex(kind=real_8),
    - + integer, intent(in),
    - + integer(kind=int_4),
    - + integer(kind=int_8),
    - + real(kind=real_4),
    - + real(kind=real_8),
    - + complex(kind=real_4),
    - + complex(kind=real_8),
    - + integer(kind=int_4),
    - + integer(kind=int_8),
    - + real(kind=real_4),
    - + real(kind=real_8),
    - + complex(kind=real_4),
    - + complex(kind=real_8),
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8),
    - + integer, intent(in)
    - + real(kind=real_8),
    - + integer, intent(in),
    - + real(kind=real_8),
    - + real(kind=real_8),
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4),
    - + integer, intent(in)
    - + real(kind=real_4),
    - + integer, intent(in),
    - + real(kind=real_4),
    - + real(kind=real_4),
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8),
    - + integer, intent(in)
    - + complex(kind=real_8),
    - + integer, intent(in),
    - + complex(kind=real_8),
    - + complex(kind=real_8),
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4),
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    - + integer, intent(in)
    - + character(len=*), intent(in)
    - + integer, intent(out)
    - + character(len=*), private,
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    - + integer, intent(in),
    - + class(dbcsr_tas_rowcol_data), intent(in)
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    - + type(dbcsr_tas_type), intent(out)
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    - + integer, intent(out)
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    - + real(kind=real_8),
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    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
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    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + real(kind=real_8),
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    - + logical, intent(out)
    - + integer, intent(out),
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    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
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    - + complex(kind=real_4), intent(in)
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    - + integer, intent(in),
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    - + type(dbcsr_tas_type), intent(inout)
    - + integer, intent(in),
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    - + type(dbcsr_tas_type), intent(inout)
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    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
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    - + class(dbcsr_tas_rowcol_data), intent(in)
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    - + type(dbcsr_tas_type), intent(out)
    - + character(len=*), intent(in),
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    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(in)
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_distribution_type), intent(out)
    - + type(mp_comm_type), intent(in)
    - + class(dbcsr_tas_distribution), intent(in)
    - + class(dbcsr_tas_distribution), intent(in)
    - + type(dbcsr_tas_distribution_type), intent(inout)
    - + type(dbcsr_tas_type), intent(in)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + integer, intent(out)
    - + type(dbcsr_tas_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_tas_split_info), intent(in)
    - + type(dbcsr_tas_iterator), intent(inout)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_iterator), intent(inout)
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + type(dbcsr_data_obj), intent(inout)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + integer, intent(out)
    - + logical, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in),
    - + integer(kind=int_8), intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + type(dbcsr_data_obj)
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
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    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + logical, intent(out)
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    - + integer, intent(out),
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    - + type(dbcsr_tas_distribution_type), intent(inout)
    - + type(dbcsr_tas_type), intent(in)
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    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(in)
    - + integer(kind=int_8), intent(out),
    - + integer(kind=int_8), intent(out),
    - + integer(kind=int_8), intent(out),
    - + integer(kind=int_8), intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer(kind=int_8),
    - + integer(kind=int_8),
    - + class(dbcsr_tas_distribution), intent(out),
    - + class(dbcsr_tas_distribution), intent(out),
    - + class(dbcsr_tas_rowcol_data), intent(out),
    - + class(dbcsr_tas_rowcol_data), intent(out),
    - + character(len=*), intent(out),
    - + type(dbcsr_data_obj), intent(out),
    - + character(len=1),
    - + integer,
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + real(kind=real_4),
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    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + real(kind=real_8), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + real(kind=real_8), intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + real(kind=real_4), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + real(kind=real_4), intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + complex(kind=real_8), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + complex(kind=real_8), intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + complex(kind=real_4), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + complex(kind=real_4), intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer, intent(in),
    - + logical, intent(in),
    - + character(len=*), private,
    - + integer, intent(in)
    - + class(dbcsr_tas_distribution), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_distribution), intent(in)
    - + integer, intent(in)
    - + class(dbcsr_tas_rowcol_data), intent(in)
    - + integer(kind=int_8), intent(in)
    procedure(rowcol_dist), public, deferred :: - dist
    procedure(dist_rowcols), public, deferred :: - rowcols
    procedure, public :: - dist => cyclic_dist
    procedure, public :: - rowcols => cyclic_rowcols
    procedure, public :: - dist => arb_dist
    procedure, public :: - rowcols => arb_rowcols
    - + integer, public
    procedure, public :: - dist => repl_dist
    procedure, public :: - rowcols => repl_rowcols
    procedure(rowcol_data), public, deferred :: - DATA
    procedure, public :: - DATA => blk_size_arb
    procedure, public :: - DATA => blk_size_repl
    procedure, public :: - DATA => blk_size_one
    - + class(dbcsr_tas_blk_size_arb), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_blk_size_repl), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_blk_size_one), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_dist_arb), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_dist_repl), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_dist_repl), intent(in)
    - + integer, intent(in)
    - + class(dbcsr_tas_dist_arb), intent(in)
    - + integer, intent(in)
    - + class(dbcsr_tas_rowcol_data), intent(in)
    - + integer, intent(in)
    - + class(dbcsr_tas_dist_cyclic), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_dist_cyclic), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(out),
    - + character(len=*), private,
    - + integer, intent(in),
    - + type(dbcsr_tas_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + type(dbcsr_tas_split_info), intent(in)
    - + integer, intent(in)
    - + character(len=*), intent(in),
    - + character(len=*), private,
    - + integer, intent(in)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + type(dbcsr_scalar_type), intent(in)
    - + type(dbcsr_tas_type), intent(inout),
    - + type(dbcsr_tas_type), intent(inout),
    - + type(dbcsr_scalar_type), intent(in)
    - + type(dbcsr_tas_type), intent(inout),
    - + real(kind=real_8), intent(in),
    - + integer(kind=int_8), intent(out),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_scalar_type), intent(in),
    - + type(mp_comm_type), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + logical, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_tas_type), intent(inout),
    - + integer, intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + type(dbcsr_tas_type), intent(inout),
    - + type(dbcsr_tas_type), intent(inout),
    - + type(dbcsr_tas_type), intent(inout),
    - + real(kind=real_8), intent(in),
    - + integer(kind=int_8), intent(out),
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + character(len=*), private,
    - + type(block_buffer_type), intent(inout)
    - + integer(kind=int_8), intent(out),
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    - + integer(kind=c_int), intent(in),
    - + integer(kind=c_int), intent(in),
    - + type(c_ptr), intent(inout)
    - + integer(kind=c_long_long), intent(inout)
    - + complex(kind=c_double_complex), intent(in),
    - + integer(kind=c_int), intent(in),
    - + integer(kind=c_int), intent(in),
    - + type(c_ptr), intent(inout)
    - + integer(kind=c_long_long), intent(inout)
    - + complex(kind=c_float_complex), intent(in),
    - + integer(kind=c_int), intent(in),
    - + integer(kind=c_int), intent(in),
    - + integer(kind=c_int),
    - + character(len=*), private,
    - + type(block_nd), intent(out)
    - + real(kind=real_8), intent(in),
    - + type(block_nd), intent(out)
    - + real(kind=real_4), intent(in),
    - + type(block_nd), intent(out)
    - + complex(kind=real_8), intent(in),
    - + type(block_nd), intent(out)
    - + complex(kind=real_4), intent(in),
    - + type(block_nd), intent(out)
    - + integer, intent(in)
    - + integer, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + type(block_nd), intent(in)
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + type(block_nd), intent(out)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_tas_iterator), public
    - + type(array_list), public
    - + real(kind=real_8), public,
    - + real(kind=real_4), public,
    - + complex(kind=real_8), public,
    - + complex(kind=real_4), public,
    - + type(block_nd_r_dp), public
    - + type(block_nd_r_sp), public
    - + type(block_nd_c_dp), public
    - + type(block_nd_c_sp), public
    - + integer, public
    - + type(block_nd), intent(in)
    - + type(dbcsr_t_iterator_type), intent(in)
    - + type(dbcsr_t_iterator_type), intent(in)
    - + type(block_nd), intent(out)
    - + integer, intent(in)
    - + type(block_nd), intent(inout)
    - + type(dbcsr_t_iterator_type), intent(out)
    - + type(dbcsr_t_iterator_type), intent(inout)
    - + type(dbcsr_t_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(block_nd), intent(out)
    - + real(kind=real_8), intent(in),
    - + type(block_nd), intent(out)
    - + real(kind=real_4), intent(in),
    - + type(block_nd), intent(out)
    - + complex(kind=real_8), intent(in),
    - + type(block_nd), intent(out)
    - + complex(kind=real_4), intent(in),
    - + type(block_nd_r_dp), intent(out)
    - + type(block_nd_r_sp), intent(out)
    - + type(block_nd_c_dp), intent(out)
    - + type(block_nd_c_sp), intent(out)
    - + type(block_nd_r_dp), intent(inout)
    - + type(block_nd_r_sp), intent(inout)
    - + type(block_nd_c_dp), intent(inout)
    - + type(block_nd_c_sp), intent(inout)
    - + integer, intent(in),
    - + type(block_nd), intent(out)
    - + integer, intent(in),
    - + type(block_nd), intent(in)
    - + integer, intent(in),
    - + type(block_nd_r_dp), intent(in)
    - + integer, intent(in),
    - + type(block_nd_r_sp), intent(in)
    - + integer, intent(in),
    - + type(block_nd_c_dp), intent(in)
    - + integer, intent(in),
    - + type(block_nd_c_sp), intent(in)
    - + integer, intent(in),
    - + type(block_nd), intent(out)
    - + integer, intent(in),
    - + type(block_nd), intent(out)
    - + integer, intent(in),
    - + type(block_nd), intent(out)
    - + integer, intent(in),
    - + type(block_nd), intent(out)
    - + integer, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + character(len=*), private,
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public,
    - + integer(kind=int_8), public,
    - + integer, public,
    - + integer, public,
    - + integer, public
    - + logical, public
    - + type(nd_to_2d_mapping), intent(in)
    - + type(nd_to_2d_mapping), intent(in)
    - + type(nd_to_2d_mapping), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(nd_to_2d_mapping), intent(in)
    - + type(nd_to_2d_mapping), intent(in)
    - + type(nd_to_2d_mapping), intent(in)
    - + type(nd_to_2d_mapping), intent(in)
    - + integer, intent(in),
    - + type(nd_to_2d_mapping), intent(out)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(nd_to_2d_mapping), intent(inout)
    - + type(nd_to_2d_mapping), intent(in)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + logical, intent(out),
    - + integer, intent(in),
    - + character(len=*), private,
    - + integer, intent(in),
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + logical, intent(in),
    - + character(len=*), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8), intent(in),
    - + real(kind=real_8), intent(in),
    - + real(kind=real_8), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_pgrid_type), intent(in)
    - + integer, intent(in)
    - + character(len=*), private,
    - + integer, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(in),
    - + integer, public
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(inout)
    - + logical, intent(in),
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(block_nd), intent(in)
    - + integer, intent(out),
    - + type(block_nd), intent(inout),
    - + integer, intent(out),
    - + type(mp_comm_type), intent(in)
    - + integer, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(out),
    - + real(kind=real_8), intent(out),
    - + integer, intent(out),
    - + real(kind=real_4), intent(out),
    - + integer, intent(out),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(out),
    - + complex(kind=real_4), intent(out),
    - + character(len=*), private,
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(out)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(out)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(inout)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(out)
    - + logical, intent(in),
    - + character(len=*), private,
    - + integer, private,
    - + integer, private,
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(out),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(out),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(out),
    - + integer, intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + logical, intent(in),
    - + integer, intent(in)
    - + integer, intent(out),
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + type(mp_comm_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(out),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(out),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(out),
    - + type(dbcsr_scalar_type), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_scalar_type), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + integer, intent(in)
    - + integer,
    - + integer,
    - + integer,
    - + logical, intent(in),
    - + logical, intent(in),
    - + character(len=*), private,
    - + type(dbcsr_t_type), intent(out)
    - + character(len=*), intent(in)
    - + type(dbcsr_t_distribution_type), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(out)
    - + character(len=*), intent(in),
    - + type(dbcsr_t_distribution_type), intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_t_type), intent(out)
    - + integer, intent(in),
    - + character(len=*), intent(in),
    - + type(array_list), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + integer, public
    - + type(array_list), public
    - + type(dbcsr_t_pgrid_type), public
    - + integer, public,
    - + logical, public
    - + character(len=default_string_length), public
    - + integer, public,
    - + type(dbcsr_tas_distribution_type), public
    - + type(dbcsr_t_pgrid_type), public
    - + integer, public,
    - + integer, public,
    procedure, public :: - dist => tas_dist_t
    procedure, public :: - rowcols => tas_rowcols_t
    - + integer, public,
    - + type(array_list), public
    - + class(dbcsr_tas_dist_t), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_dist_t), intent(in)
    - + integer, intent(in)
    - + type(array_list), intent(in)
    - + class(dbcsr_tas_blk_size_t), intent(in)
    - + integer(kind=int_8), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(inout),
    - + integer, intent(in),
    - + type(mp_comm_type), intent(inout)
    - + type(dbcsr_t_distribution_type), intent(out)
    - + type(dbcsr_t_pgrid_type), intent(in)
    - + type(dbcsr_t_distribution_type), intent(out)
    - + type(dbcsr_t_pgrid_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_distribution_type), intent(inout)
    - + type(dbcsr_t_distribution_type), intent(in)
    - + type(dbcsr_t_type), intent(out)
    - + character(len=*), intent(in)
    - + type(dbcsr_t_distribution_type), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(out)
    - + character(len=*), intent(in),
    - + type(dbcsr_t_distribution_type), intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_t_type), intent(out)
    - + integer, intent(in),
    - + character(len=*), intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(out),
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(out),
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(out),
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(out),
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(out)
    - + type(mp_comm_type), intent(in)
    - + integer, intent(inout),
    - + type(dbcsr_t_pgrid_type), intent(out)
    - + integer, intent(in),
    - + type(mp_comm_type), intent(in)
    - + integer, intent(inout),
    - + type(dbcsr_t_pgrid_type), intent(out)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_t_pgrid_type), intent(inout)
    - + type(dbcsr_t_pgrid_type), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_t_pgrid_type), intent(inout)
    - + integer, intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_t_pgrid_type), intent(in)
    - + integer, intent(out),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_t_distribution_type), intent(out),
    - + character(len=*), intent(out),
    - + integer, intent(out),
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_scalar_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(out),
    - + type(dbcsr_t_type), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + character(len=*), private,
    - + complex(kind=real_8)
    - + integer
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(out)
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + character(len=*), intent(in)
    - + real(kind=real_8), intent(in)
    - + type(mp_comm_type), intent(in)
    - + integer, intent(in),
    - + character(len=1), intent(in),
    - + type(dbcsr_distribution_obj), intent(in),
    - + integer, intent(out),
    - + integer, intent(in)
    - + type(dbcsr_mp_obj), intent(out)
    - + type(mp_comm_type), intent(in),
    - + type(dbcsr_distribution_obj), intent(out)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in),
    - + logical, private,
    - + type(dbcsr_mp_obj), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + character(len=*), private,
    - + type(mp_comm_type), intent(in)
    - + integer, intent(in)
    - + integer,
    - + integer,
    - + integer,
    - + real(kind=dp), intent(in)
    - + real(kind=dp), intent(in)
    - + integer, intent(in)
    - + real(kind=dp), intent(in)
    - + logical, intent(in)
    - + type(dbcsr_type)
    - + integer
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + type(dbcsr_scalar_type), intent(in)
    - + type(dbcsr_scalar_type), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + real(kind=dp), intent(in)
    - + integer, intent(in)
    - + character(len=*), private,
    - + character(len=default_string_length), intent(in)
    - + character(len=*), intent(in)
    - + integer, intent(out)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + character(len=13), intent(in)
    - + character(len=default_string_length), intent(in),
    - + integer, intent(in)
    - + integer, public
    - + character(len=default_string_length), public
    - + logical, public
    - + integer, public
    - + character(len=default_string_length), public
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + character(len=*), intent(in)
    - + integer, public
    - + type(dict_str_i4_type), public
    - + integer, public
    - + character(len=13), public
    - + character(len=*), private,
    - + integer, intent(inout)
    - + integer, intent(inout)
    - + logical, intent(inout)
    - + logical, intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + integer, intent(inout)
    - + integer, intent(inout)
    - + logical, intent(inout)
    - + logical, intent(inout)
    - + integer, intent(in),
    - + integer, intent(in)
    - + logical, intent(out)
    - + integer, intent(in),
    - + integer, intent(in),
    - + character(len=*), private,
    - + logical, private,
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_distribution_obj), intent(inout)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in)
    - + logical, intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in)
    - + logical, intent(in)
    - + logical, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + character(len=*), private,
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + type(mp_comm_type), public
    - + integer, public,
    - + integer, public
    - + logical, public
    - + type(mp_comm_type), public
    - + type(mp_comm_type), public
    - + integer, public
    - + type(dbcsr_mp_type), public,
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + integer, public
    - + integer, public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + logical, public
    - + type(array_i1d_obj), public
    - + integer, public
    - + type(dbcsr_mp_obj), public
    - + integer, public
    - + type(dbcsr_distribution_type), public,
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + integer, public
    - + integer, public
    - + type(dbcsr_imagedistribution_type), public,
    - + integer, public
    - + type(dbcsr_data_obj), public,
    - + integer, public
    - + type(dbcsr_block_buffer_type), public,
    - + type(dbcsr_type), public,
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public,
    - + integer, public,
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + integer, public
    - + integer, public
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + type(dbcsr_data_obj), public
    - + integer, public
    - + integer, public
    - + type(dbcsr_mutable_type), public,
    - + type(dbcsr_data_obj), public
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public
    - + integer, public
    - + logical, public
    - + character(len=default_string_length), public
    - + type(dbcsr_data_obj), public
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + type(dbcsr_memtype_type), public
    - + type(dbcsr_block_buffer_obj), public
    - + type(dbcsr_distribution_obj), public
    - + integer, public
    - + type(dbcsr_type), public,
    - + type(dbcsr_imagedistribution_obj), public
    - + type(dbcsr_imagedistribution_obj), public
    - + integer, public
    - + real, public,
    - + character(len=*), private,
    - + logical, private,
    - + type(dbcsr_type), intent(inout)
    - + character(len=*), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + character(len=1), intent(in)
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + type(dbcsr_distribution_obj), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + character(len=*), intent(in),
    - + type(dbcsr_distribution_obj), intent(in),
    - + character(len=1), intent(in),
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer, public,
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + character(len=*), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + character(len=1), intent(in)
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + type(dbcsr_distribution_obj), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + character(len=*), intent(in),
    - + type(dbcsr_distribution_obj), intent(in),
    - + character(len=1), intent(in),
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_work_type), intent(out)
    - + integer, intent(in)
    - + type(dbcsr_memtype_type), intent(in),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_work_type), intent(inout),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_work_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_work_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_work_type), intent(inout)
    - + type(dbcsr_work_type), intent(inout)
    - + type(dbcsr_work_type), intent(inout)
    - + type(dbcsr_work_type), intent(inout) Enable HIP acceleration C, C++
    __DBCSR_ACC_G2GEnable GPU Aware MPI in CUDA and HIP backendsFortran, C, C++
    diff --git a/develop/proc/acc_calculate_norms.html b/develop/proc/acc_calculate_norms.html index 497ab316cae..729caf70b37 100644 --- a/develop/proc/acc_calculate_norms.html +++ b/develop/proc/acc_calculate_norms.html @@ -159,7 +159,7 @@

    Arguments
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_data_obj), intent(inout),
    - + type(dbcsr_data_obj), intent(inout),
    - + type(dbcsr_data_obj), intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(acc_devmem_type), intent(inout)
    - + type(acc_devmem_type), intent(in)
    - + integer, intent(in)
    - + type(acc_devmem_type), intent(inout)
    - + type(acc_devmem_type), intent(inout)
    - + type(acc_stream_type), intent(in)
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer(kind=int_8), intent(out)
    - + type(acc_devmem_type), intent(inout)
    - + type(acc_devmem_type), intent(inout)
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + type(acc_event_type), intent(inout)
    - + type(acc_event_type), intent(inout)
    - + type(acc_event_type), intent(in)
    - + type(acc_event_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_event_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(out)
    - + character(len=*), intent(in)
    - + integer, intent(in),
    - + type(acc_stream_type), intent(inout)
    - + type(acc_stream_type), intent(in)
    - + integer, intent(out)
    - + type(acc_stream_type), intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_work_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(out),
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(out)
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + integer, intent(out),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + integer, intent(out),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + integer, intent(out),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + integer, intent(out),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(out),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in),
    - + integer, intent(out),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + real(kind=real_8), intent(in),
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    - + logical(kind=c_bool), intent(in),
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    - + complex(kind=c_double_complex), intent(in)
    - + logical(kind=c_bool), intent(in),
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    - + complex(kind=c_float_complex), intent(in)
    - + real(kind=c_double), intent(in)
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    - + complex(kind=c_float_complex), intent(in),
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    - + complex(kind=c_double_complex), intent(in),
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    - + complex(kind=c_double_complex), intent(in),
    - + real(kind=c_double), intent(in),
    - + integer(kind=c_long_long), intent(inout),
    - + logical(kind=c_bool), intent(in),
    - + integer(kind=c_int), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + real(kind=c_double), intent(in),
    - + integer(kind=c_long_long), intent(inout),
    - + logical(kind=c_bool), intent(in),
    - + integer(kind=c_int), intent(in),
    - + complex(kind=c_double_complex), intent(in),
    - + complex(kind=c_double_complex), intent(in),
    - + real(kind=c_double), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_float), intent(in),
    - + real(kind=c_float), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_double), intent(in),
    - + integer(kind=c_long_long), intent(inout),
    - + logical(kind=c_bool), intent(in),
    - + integer(kind=c_int), intent(in),
    - + real(kind=c_float), intent(in),
    - + real(kind=c_float), intent(in),
    - + real(kind=c_double), intent(in),
    - + integer(kind=c_long_long), intent(inout),
    - + logical(kind=c_bool), intent(in),
    - + integer(kind=c_int), intent(in),
    - + logical(kind=c_bool), intent(in),
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    - + type(c_ptr), intent(in),
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    - + logical(kind=c_bool), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + integer(kind=c_int), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + real(kind=c_double), intent(in),
    - + integer(kind=c_int), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + real(kind=c_float), intent(in),
    - + integer(kind=c_int), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + complex(kind=c_double_complex), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + complex(kind=c_float_complex), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + real(kind=c_double), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + real(kind=c_float), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + complex(kind=c_double_complex), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + complex(kind=c_float_complex), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + real(kind=c_double), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + real(kind=c_float), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + complex(kind=c_double_complex), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + complex(kind=c_float_complex), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + type(c_ptr), intent(inout)
    - + logical(kind=c_bool), intent(inout)
    - + real(kind=c_double), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + real(kind=c_float), intent(out),
    - + logical(kind=c_bool), intent(out)
    - + type(c_ptr), intent(inout)
    - + integer(kind=c_long_long), intent(inout)
    - + complex(kind=c_double_complex), intent(in),
    - + integer(kind=c_int), intent(in),
    - + integer(kind=c_int), intent(in),
    - + type(c_ptr), intent(inout)
    - + integer(kind=c_long_long), intent(inout)
    - + complex(kind=c_float_complex), intent(in),
    - + integer(kind=c_int), intent(in),
    - + integer(kind=c_int), intent(in),
    - + type(c_ptr), intent(inout)
    - + integer(kind=c_long_long), intent(inout)
    - + real(kind=c_double), intent(in),
    - + integer(kind=c_int), intent(in),
    - + integer(kind=c_int), intent(in),
    - + type(c_ptr), intent(inout)
    - + integer(kind=c_long_long), intent(inout)
    - + real(kind=c_float), intent(in),
    - + integer(kind=c_int), intent(in),
    - + integer(kind=c_int), intent(in),
    - + type(c_ptr), intent(out),
    - + type(c_ptr), intent(out),
    - + integer(kind=c_int), intent(out),
    - + integer(kind=c_int), intent(out),
    - + integer(kind=c_int), intent(out),
    - + integer(kind=c_int), intent(out),
    - + integer(kind=c_int), intent(out),
    - + type(c_ptr), intent(in),
    - + type(c_ptr), intent(in),
    - + integer(kind=c_int), intent(out)
    - + integer(kind=c_int), intent(out),
    - + type(c_ptr), intent(out)
    - + type(c_ptr), intent(inout)
    - + integer(kind=c_int), intent(in),
    - + integer(kind=c_int), intent(in),
    - + integer(kind=c_int), intent(in)
    - + type(c_ptr), intent(out)
    - + integer(kind=c_int), intent(in)
    - + type(c_ptr), intent(out)
    - + integer(kind=c_int), intent(in),
    - + integer(kind=c_int), intent(in),
    - + type(c_ptr), intent(inout)
    - + complex(kind=c_double_complex), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + complex(kind=c_double_complex), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + real(kind=c_double), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_float), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + real(kind=c_float), intent(in),
    - + complex(kind=c_double_complex), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + complex(kind=c_double_complex), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + real(kind=c_double), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_float), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + real(kind=c_float), intent(in),
    - + complex(kind=c_double_complex), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + complex(kind=c_double_complex), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + real(kind=c_double), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_float), intent(in),
    - + logical(kind=c_bool), intent(in),
    - + real(kind=c_float), intent(in),
    - + integer(kind=c_int), intent(in),
    - + complex(kind=c_double_complex), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_float), intent(in),
    - + complex(kind=c_double_complex), intent(in),
    - + complex(kind=c_float_complex), intent(in),
    - + real(kind=c_double), intent(in),
    - + real(kind=c_float), intent(in),
    - + character(kind=c_char, len=:), intent(out),
    - + type(c_ptr), intent(in),
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(list_callstackentry_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(list_timerenv_type), intent(inout)
    - + integer, intent(in)
    - + type(dbcsr_tas_type), intent(inout),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8)
    - + integer
    - + class(CONF_PAR), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(block_nd), intent(out)
    - + complex(kind=real_8), intent(in),
    - + type(block_nd), intent(out)
    - + complex(kind=real_4), intent(in),
    - + type(block_nd), intent(out)
    - + real(kind=real_8), intent(in),
    - + type(block_nd), intent(out)
    - + real(kind=real_4), intent(in),
    - + type(block_nd), intent(out)
    - + integer, intent(in)
    - + type(block_nd_c_dp), intent(out)
    - + type(block_nd_c_sp), intent(out)
    - + type(block_nd_r_dp), intent(out)
    - + type(block_nd_r_sp), intent(out)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(nd_to_2d_mapping), intent(out)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_csr_type), intent(out)
    - + real(kind=real_8), intent(out)
    - + real(kind=real_8), intent(in)
    - + integer, intent(in),
    - + type(mp_comm_type), intent(in)
    - + integer, intent(in),
    - + type(dbcsr_csr_type), intent(out)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(csr_type), intent(out)
    - + type(csr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + character(len=*), intent(in)
    - + class(dbcsr_tas_dist_cyclic), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_dist_cyclic), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(acc_devmem_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + type(acc_devmem_type), intent(inout)
    - + logical, intent(inout)
    - + logical, intent(inout)
    - + type(acc_devmem_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(acc_stream_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_scalar_type), intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + integer(kind=int_8), intent(inout),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(in)
    - + logical, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(in)
    - + logical, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(in)
    - + logical, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(in)
    - + logical, intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -209,7 +209,7 @@

    Arguments

    - + real(kind=dp),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -209,7 +209,7 @@

    Arguments

    - + real(kind=dp),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,8 +173,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -188,7 +188,7 @@

    Arguments

    - + complex(kind=real_4), intent(in)
    - + complex(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,8 +173,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -188,7 +188,7 @@

    Arguments

    - + complex(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -174,8 +173,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -189,7 +188,7 @@

    Arguments

    - + real(kind=real_8), intent(in)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_logger_type),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,8 +174,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -188,7 +189,7 @@

    Arguments

    - + real(kind=real_8), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + complex(kind=real_4), intent(in) ::alphaalpha_scalar -

    scalar

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + complex(kind=real_4), intent(in) ::alpha_scalaralpha - +

    scalar
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + real(kind=real_8), intent(in) ::alphaalpha_scalar -

    scalar

    +
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + real(kind=real_8), intent(in) ::alpha_scalaralpha - +

    scalar
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + real(kind=real_4), intent(in) ::alphaalpha_scalar -

    scalar

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + real(kind=real_4), intent(in) ::alpha_scalaralpha - +

    scalar
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + complex(kind=real_8), intent(in) ::alphaalpha_scalar -

    scalar

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + complex(kind=real_8), intent(in) ::alpha_scalaralpha - +

    scalar
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,8 +173,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -188,7 +188,7 @@

    Arguments

    - + real(kind=real_4), intent(in)
    - + real(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,8 +173,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -188,7 +188,7 @@

    Arguments

    - + real(kind=real_4), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(out),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,8 +173,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -188,7 +188,7 @@

    Arguments

    - + complex(kind=real_8), intent(in)
    - + complex(kind=real_8), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,8 +173,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -188,7 +188,7 @@

    Arguments

    - + complex(kind=real_8), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + type(mp_comm_type), intent(in)
    - + character(len=*), intent(in) :: filepath -

    path to the file

    +
    - - type(dbcsr_distribution_obj), + + type(dbcsr_distribution_type), intent(in) @@ -184,13 +183,13 @@

    Arguments

    		:: distribution -

    row and column distribution

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -199,7 +198,7 @@

    Arguments

    		:: matrix_new -

    DBCSR matrix

    +
    - + character(len=*), intent(in) :: filepath - +

    path to the file
    - - type(dbcsr_distribution_type), + + type(dbcsr_distribution_obj), intent(in) @@ -183,13 +184,13 @@

    Arguments

    		:: distribution - +

    row and column distribution
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -198,7 +199,7 @@

    Arguments

    		:: matrix_new - +

    DBCSR matrix
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in)intent(inout) :: matrix -

    DBCSR matrix

    +
    - + character(len=*), intent(in) :: filepath -

    path to the file

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout)intent(in) :: matrix - +

    DBCSR matrix
    - + character(len=*), intent(in) :: filepath - +

    path to the file
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_scalar_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + integer, intent(in),
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(inout),
    - + integer, intent(in)
    - + type(dbcsr_type), intent(in)
    - + logical, intent(in),
    - + type(dbcsr_type), intent(in)
    - + logical, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) ::matrixdbcsr_mat
    - + type(dbcsr_type), intent(inout)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) ::dbcsr_matmatrix
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_csr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_csr_type), intent(inout)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,13 +168,13 @@

    Arguments

    		:: matrix_b -

    target DBCSR matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -184,12 +183,12 @@

    Arguments

    		:: matrix_a -

    source DBCSR matrix

    +
    - + character(len=*), intent(in), :: name -

    name of the new matrix

    +
    - + logical, intent(in), :: keep_sparsity -

    keep the target matrix sparsity; default is False. -shallow data copy -when copy from complex to real,& the default is to keep only the real part; if this flag is set, the imaginary part is -used

    +
    :: shallow_data -

    keep the target matrix sparsity; default is False. -shallow data copy -when copy from complex to real,& the default is to keep only the real part; if this flag is set, the imaginary part is -used

    +
    :: keep_imaginary -

    keep the target matrix sparsity; default is False. -shallow data copy -when copy from complex to real,& the default is to keep only the real part; if this flag is set, the imaginary part is -used

    +
    - + character(len=1), intent(in), :: matrix_type -

    'N' for normal, 'T' for transposed, 'S' for symmetric, and 'A' for antisymmetric

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,13 +168,13 @@

    Arguments

    		:: matrix_b -

    target DBCSR matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -184,7 +183,7 @@

    Arguments

    		:: matrix_a -

    source DBCSR matrix

    +
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,13 +169,13 @@

    Arguments

    		:: matrix_b - +

    target DBCSR matrix
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -183,7 +184,7 @@

    Arguments

    		:: matrix_a - +

    source DBCSR matrix
    - + integer, intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + character(len=*), intent(in),
    - + logical, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,13 +169,13 @@

    Arguments

    		:: matrix_b - +

    target DBCSR matrix
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -183,12 +184,12 @@

    Arguments

    		:: matrix_a - +

    source DBCSR matrix
    - + character(len=*), intent(in), :: name - +

    name of the new matrix
    - + logical, intent(in), :: keep_sparsity - +

    keep the target matrix sparsity; default is False. +shallow data copy +when copy from complex to real,& the default is to keep only the real part; if this flag is set, the imaginary part is +used
    - + logical, intent(in), :: shallow_data - +

    keep the target matrix sparsity; default is False. +shallow data copy +when copy from complex to real,& the default is to keep only the real part; if this flag is set, the imaginary part is +used
    :: keep_imaginary - +

    keep the target matrix sparsity; default is False. +shallow data copy +when copy from complex to real,& the default is to keep only the real part; if this flag is set, the imaginary part is +used
    - + character(len=1), intent(in), :: matrix_type - +

    'N' for normal, 'T' for transposed, 'S' for symmetric, and 'A' for antisymmetric
    - + integer, intent(in),
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(inout),
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_imagedistribution_obj), intent(out)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + character(len=*), intent(in)
    - + type(dbcsr_distribution_type), intent(in)
    - + character(len=1), intent(in)
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + character(len=*), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + character(len=1), intent(in)
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + type(dbcsr_distribution_obj), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + character(len=*), intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_distribution_type), intent(in),
    - + character(len=1), intent(in),
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + character(len=*), intent(in),
    - + type(dbcsr_distribution_obj), intent(in),
    - + character(len=1), intent(in),
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + logical, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_csr_type), intent(out)
    - + type(dbcsr_type), intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + logical, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(in)
    - + type(dbcsr_scalar_type), intent(in),
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + logical, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(out)
    - + integer, intent(out)
    - + integer, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + logical, intent(out)
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8), intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in)
    - + type(dbcsr_type),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_imagedistribution_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_distribution_obj), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + logical, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - - type(dbcsr_distribution_obj), + + type(dbcsr_distribution_type), intent(in) @@ -174,7 +173,7 @@

    Arguments

    - + integer,
    - + integer,
    - + integer, intent(out),
    - + integer, intent(out),
    - - type(mp_comm_type), + + integer, intent(out), optional @@ -264,7 +263,7 @@

    Arguments

    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer,
    - + logical, intent(out),
    - - type(mp_comm_type), + + integer, intent(out), optional @@ -399,8 +398,8 @@

    Arguments

    - - type(mp_comm_type), + + integer, intent(out), optional @@ -430,39 +429,29 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_distribution_get(dist, row_dist, col_dist, &
-      !! Get distribution parameters
                                      nrows, ncols, has_threads, &
                                      group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, &
                                      subgroups_defined, prow_group, pcol_group)
-      TYPE(dbcsr_distribution_obj), INTENT(IN)          :: dist
+      TYPE(dbcsr_distribution_type), INTENT(IN)          :: dist
       INTEGER, DIMENSION(:), OPTIONAL, POINTER           :: row_dist, col_dist
       INTEGER, INTENT(OUT), OPTIONAL                     :: nrows, ncols
       LOGICAL, INTENT(OUT), OPTIONAL                     :: has_threads
-      TYPE(mp_comm_type), INTENT(OUT), OPTIONAL          :: group
-      INTEGER, INTENT(OUT), OPTIONAL                     :: mynode, numnodes, nprows, npcols, &
+      INTEGER, INTENT(OUT), OPTIONAL                     :: group, mynode, numnodes, nprows, npcols, &
                                                             myprow, mypcol
       INTEGER, DIMENSION(:, :), OPTIONAL, POINTER        :: pgrid
       LOGICAL, INTENT(OUT), OPTIONAL                     :: subgroups_defined
-      TYPE(mp_comm_type), INTENT(OUT), OPTIONAL          :: prow_group, pcol_group
-
-      IF (PRESENT(row_dist)) row_dist => array_data(dist%d%row_dist_block)
-      IF (PRESENT(col_dist)) col_dist => array_data(dist%d%col_dist_block)
-      IF (PRESENT(nrows)) nrows = array_size(dist%d%row_dist_block)
-      IF (PRESENT(ncols)) ncols = array_size(dist%d%col_dist_block)
-      IF (PRESENT(has_threads)) has_threads = dist%d%has_thread_dist
-
-      IF (PRESENT(group)) group = dist%d%mp_env%mp%mp_group
-      IF (PRESENT(mynode)) mynode = dist%d%mp_env%mp%mynode
-      IF (PRESENT(numnodes)) numnodes = dist%d%mp_env%mp%numnodes
-      IF (PRESENT(nprows)) nprows = SIZE(dist%d%mp_env%mp%pgrid, 1)
-      IF (PRESENT(npcols)) npcols = SIZE(dist%d%mp_env%mp%pgrid, 2)
-      IF (PRESENT(myprow)) myprow = dist%d%mp_env%mp%myprow
-      IF (PRESENT(mypcol)) mypcol = dist%d%mp_env%mp%mypcol
-      IF (PRESENT(prow_group)) prow_group = dist%d%mp_env%mp%prow_group
-      IF (PRESENT(pcol_group)) pcol_group = dist%d%mp_env%mp%pcol_group
-      IF (PRESENT(pgrid)) pgrid => dist%d%mp_env%mp%pgrid
-      IF (PRESENT(subgroups_defined)) subgroups_defined = dist%d%mp_env%mp%subgroups_defined
+      INTEGER, INTENT(OUT), OPTIONAL                     :: prow_group, pcol_group
+
+      TYPE(mp_comm_type) :: my_group, my_prow_group, my_pcol_group
+
+      call dbcsr_distribution_get_prv(dist%prv, row_dist, col_dist, &
+                                      nrows, ncols, has_threads, &
+                                      my_group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, &
+                                      subgroups_defined, my_prow_group, my_pcol_group)
 
+      IF (PRESENT(group)) group = my_group%get_handle()
+      IF (PRESENT(prow_group)) prow_group = my_prow_group%get_handle()
+      IF (PRESENT(pcol_group)) pcol_group = my_pcol_group%get_handle()
    END SUBROUTINE dbcsr_distribution_get
    diff --git a/develop/proc/dbcsr_distribution_get_num_images_1d.html b/develop/proc/dbcsr_distribution_get_num_images_1d.html index b1df4fa952a..ef030b34496 100644 --- a/develop/proc/dbcsr_distribution_get_num_images_1d.html +++ b/develop/proc/dbcsr_distribution_get_num_images_1d.html @@ -176,7 +176,7 @@

    Arguments

    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - - type(dbcsr_distribution_type), + + type(dbcsr_distribution_obj), intent(in) @@ -203,7 +204,7 @@

    Arguments

    - + integer, intent(out),
    - + integer, intent(out),
    - - integer, + + type(mp_comm_type), intent(out), optional @@ -263,7 +264,7 @@

    Arguments

    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer,
    - integer, + type(mp_comm_type), intent(out), optional @@ -399,7 +400,7 @@

    Arguments

    - integer, + type(mp_comm_type), intent(out), optional @@ -429,29 +430,39 @@

    Arguments

    Source Code

       SUBROUTINE dbcsr_distribution_get(dist, row_dist, col_dist, &
+      !! Get distribution parameters
                                      nrows, ncols, has_threads, &
                                      group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, &
                                      subgroups_defined, prow_group, pcol_group)
-      TYPE(dbcsr_distribution_type), INTENT(IN)          :: dist
+      TYPE(dbcsr_distribution_obj), INTENT(IN)          :: dist
       INTEGER, DIMENSION(:), OPTIONAL, POINTER           :: row_dist, col_dist
       INTEGER, INTENT(OUT), OPTIONAL                     :: nrows, ncols
       LOGICAL, INTENT(OUT), OPTIONAL                     :: has_threads
-      INTEGER, INTENT(OUT), OPTIONAL                     :: group, mynode, numnodes, nprows, npcols, &
+      TYPE(mp_comm_type), INTENT(OUT), OPTIONAL          :: group
+      INTEGER, INTENT(OUT), OPTIONAL                     :: mynode, numnodes, nprows, npcols, &
                                                             myprow, mypcol
       INTEGER, DIMENSION(:, :), OPTIONAL, POINTER        :: pgrid
       LOGICAL, INTENT(OUT), OPTIONAL                     :: subgroups_defined
-      INTEGER, INTENT(OUT), OPTIONAL                     :: prow_group, pcol_group
-
-      TYPE(mp_comm_type) :: my_group, my_prow_group, my_pcol_group
-
-      call dbcsr_distribution_get_prv(dist%prv, row_dist, col_dist, &
-                                      nrows, ncols, has_threads, &
-                                      my_group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, &
-                                      subgroups_defined, my_prow_group, my_pcol_group)
+      TYPE(mp_comm_type), INTENT(OUT), OPTIONAL          :: prow_group, pcol_group
+
+      IF (PRESENT(row_dist)) row_dist => array_data(dist%d%row_dist_block)
+      IF (PRESENT(col_dist)) col_dist => array_data(dist%d%col_dist_block)
+      IF (PRESENT(nrows)) nrows = array_size(dist%d%row_dist_block)
+      IF (PRESENT(ncols)) ncols = array_size(dist%d%col_dist_block)
+      IF (PRESENT(has_threads)) has_threads = dist%d%has_thread_dist
+
+      IF (PRESENT(group)) group = dist%d%mp_env%mp%mp_group
+      IF (PRESENT(mynode)) mynode = dist%d%mp_env%mp%mynode
+      IF (PRESENT(numnodes)) numnodes = dist%d%mp_env%mp%numnodes
+      IF (PRESENT(nprows)) nprows = SIZE(dist%d%mp_env%mp%pgrid, 1)
+      IF (PRESENT(npcols)) npcols = SIZE(dist%d%mp_env%mp%pgrid, 2)
+      IF (PRESENT(myprow)) myprow = dist%d%mp_env%mp%myprow
+      IF (PRESENT(mypcol)) mypcol = dist%d%mp_env%mp%mypcol
+      IF (PRESENT(prow_group)) prow_group = dist%d%mp_env%mp%prow_group
+      IF (PRESENT(pcol_group)) pcol_group = dist%d%mp_env%mp%pcol_group
+      IF (PRESENT(pgrid)) pgrid => dist%d%mp_env%mp%pgrid
+      IF (PRESENT(subgroups_defined)) subgroups_defined = dist%d%mp_env%mp%subgroups_defined
 
-      IF (PRESENT(group)) group = my_group%get_handle()
-      IF (PRESENT(prow_group)) prow_group = my_prow_group%get_handle()
-      IF (PRESENT(pcol_group)) pcol_group = my_pcol_group%get_handle()
    END SUBROUTINE dbcsr_distribution_get
    diff --git a/develop/proc/dbcsr_distribution_has_threads.html b/develop/proc/dbcsr_distribution_has_threads.html index 2a0fbc7a2d4..f1ab6e245d9 100644 --- a/develop/proc/dbcsr_distribution_has_threads.html +++ b/develop/proc/dbcsr_distribution_has_threads.html @@ -158,7 +158,7 @@

    Arguments
    - + type(dbcsr_distribution_obj), intent(in)
    - - type(dbcsr_distribution_obj), + + type(dbcsr_distribution_type) intent(inout)
    - - type(dbcsr_distribution_type) + + type(dbcsr_distribution_obj), intent(inout)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(inout),
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_type), intent(out)
    - + type(dbcsr_distribution_type), intent(in),
    - + integer, intent(in),
    - + integer,
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + logical, intent(in),
    - + type(dbcsr_distribution_obj), intent(out)
    - + type(dbcsr_mp_obj), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical,
    - + type(dbcsr_distribution_obj), intent(out)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in),
    - + type(array_i1d_obj), intent(in),
    - + type(dbcsr_distribution_obj), intent(out)
    - + type(dbcsr_distribution_obj), intent(in),
    - + type(mp_comm_type), intent(in),
    - + integer,
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(inout)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - - type(dbcsr_distribution_obj), + + type(dbcsr_distribution_type) intent(inout)
    - - type(dbcsr_distribution_type) + + type(dbcsr_distribution_obj), intent(inout)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,14 +168,13 @@

    Arguments

    		:: matrix_a -

    DBCSR matrices -DBCSR matrices

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -185,13 +183,12 @@

    Arguments

    		:: matrix_b -

    DBCSR matrices -DBCSR matrices

    +
    - + complex(kind=real_4), intent(inout) ::traceresult -

    the trace of the product of the matrices

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,13 +169,14 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrices +DBCSR matrices
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -183,12 +185,13 @@

    Arguments

    		:: matrix_b - +

    DBCSR matrices +DBCSR matrices
    - + complex(kind=real_4), intent(inout) ::resulttrace - +

    the trace of the product of the matrices
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,14 +168,13 @@

    Arguments

    		:: matrix_a -

    DBCSR matrices -DBCSR matrices

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -185,13 +183,12 @@

    Arguments

    		:: matrix_b -

    DBCSR matrices -DBCSR matrices

    +
    - + real(kind=real_8), intent(inout) ::traceresult -

    the trace of the product of the matrices

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,13 +169,14 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrices +DBCSR matrices
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -183,12 +185,13 @@

    Arguments

    		:: matrix_b - +

    DBCSR matrices +DBCSR matrices
    - + real(kind=real_8), intent(inout) ::resulttrace - +

    the trace of the product of the matrices
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,14 +168,13 @@

    Arguments

    		:: matrix_a -

    DBCSR matrices -DBCSR matrices

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -185,13 +183,12 @@

    Arguments

    		:: matrix_b -

    DBCSR matrices -DBCSR matrices

    +
    - + real(kind=real_4), intent(inout) ::traceresult -

    the trace of the product of the matrices

    +
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + real(kind=real_8), intent(inout)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,13 +169,14 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrices +DBCSR matrices
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -183,12 +185,13 @@

    Arguments

    		:: matrix_b - +

    DBCSR matrices +DBCSR matrices
    - + real(kind=real_4), intent(inout) ::resulttrace - +

    the trace of the product of the matrices
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,14 +168,13 @@

    Arguments

    		:: matrix_a -

    DBCSR matrices -DBCSR matrices

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -185,13 +183,12 @@

    Arguments

    		:: matrix_b -

    DBCSR matrices -DBCSR matrices

    +
    - + complex(kind=real_8), intent(inout) ::traceresult -

    the trace of the product of the matrices

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,13 +169,14 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrices +DBCSR matrices
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -183,12 +185,13 @@

    Arguments

    		:: matrix_b - +

    DBCSR matrices +DBCSR matrices
    - + complex(kind=real_8), intent(inout) ::resulttrace - +

    the trace of the product of the matrices
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in)
    - + type(dbcsr_work_type), intent(inout),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + real(kind=dp), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_scalar_type), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + integer, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(out)
    - + logical, intent(out)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in)intent(inout) :: matrix -

    the matrix

    +
    - + logical, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout)intent(in) :: matrix - +

    the matrix
    - + logical, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -190,7 +168,7 @@

    Arguments

    		:: matrix_a -

    DBCSR matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,7 +190,7 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrix
    - + type(dbcsr_data_obj), intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,7 +168,7 @@

    Arguments

    		:: matrix -

    the matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    the matrix
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_4), :: block -

    the block to get (rank-2 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_4), :: block - +

    the block to get (rank-2 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_8), :: block -

    the block to get (rank-2 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_8), :: block - +

    the block to get (rank-2 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_4), :: block -

    the block to get (rank-2 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_4), :: block - +

    the block to get (rank-2 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_8), :: block -

    the block to get (rank-2 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_8), :: block - +

    the block to get (rank-2 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,13 +168,13 @@

    Arguments

    		:: matrix -

    the matrix

    +
    - type(dbcsr_type), + type(dbcsr_type), intent(inout) @@ -184,7 +183,7 @@

    Arguments

    		:: diag -

    the diagonal

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,13 +169,13 @@

    Arguments

    		:: matrix - +

    the matrix
    - type(dbcsr_type), + type(dbcsr_type), intent(inout) @@ -183,7 +184,7 @@

    Arguments

    		:: diag - +

    the diagonal
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(out)
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_4), :: block -

    the block to get (rank-1 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_4), :: block - +

    the block to get (rank-1 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_8), :: block -

    the block to get (rank-1 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_8), :: block - +

    the block to get (rank-1 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_4), :: block -

    the block to get (rank-1 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_4), :: block - +

    the block to get (rank-1 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_8), :: block -

    the block to get (rank-1 array)

    +
    - + logical, intent(out) :: tr -

    whether the data is transposed

    +
    - + logical, intent(out) :: found -

    whether the block exists in the matrix

    +
    - + integer, intent(out), :: row_size -

    logical row size of block -logical column size of block

    +
    - + integer, intent(out), :: col_size -

    logical row size of block -logical column size of block

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_8), :: block - +

    the block to get (rank-1 array)
    - + logical, intent(out) :: tr - +

    whether the data is transposed
    - + logical, intent(out) :: found - +

    whether the block exists in the matrix
    - + integer, intent(out), :: row_size - +

    logical row size of block +logical column size of block
    - + integer, intent(out), :: col_size - +

    logical row size of block +logical column size of block
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,7 +168,7 @@

    Arguments

    		:: matrix -

    matrix

    +
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    matrix
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,7 +168,7 @@

    Arguments

    		:: matrix -

    query this matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    query this matrix
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(out),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -204,44 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_get_diag_c (matrix, diag)
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix
-         COMPLEX(kind=real_4), DIMENSION(:), INTENT(OUT)         :: diag
+         TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         COMPLEX(kind=real_4), DIMENSION(:), INTENT(OUT)                 :: diag
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_diag'
-
-         INTEGER                                            :: icol, irow, row_offset, handle, i
-         LOGICAL                                            :: tr
-         TYPE(dbcsr_iterator)                               :: iter
-         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_4) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
-            DBCSR_ABORT("Diagonal has wrong size")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         diag(:) = CMPLX(0.0, 0.0, real_4)
-
-         CALL dbcsr_iterator_start(iter, matrix)
-         DO WHILE (dbcsr_iterator_blocks_left(iter))
-            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
-            IF (irow /= icol) CYCLE
-
-            IF (sIZE(block, 1) /= sIZE(block, 2)) &
-               DBCSR_ABORT("Diagonal block non-squared")
-
-            DO i = 1, sIZE(block, 1)
-               diag(row_offset + i - 1) = block(i, i)
-            END DO
-         END DO
-         CALL dbcsr_iterator_stop(iter)
-
-         CALL timestop(handle)
+         CALL dbcsr_get_diag_prv(matrix%prv, diag)
       END SUBROUTINE dbcsr_get_diag_c
    diff --git a/develop/proc/dbcsr_get_diag_c~2.html b/develop/proc/dbcsr_get_diag_c~2.html index b8e8e84c7d5..53a2c28f163 100644 --- a/develop/proc/dbcsr_get_diag_c~2.html +++ b/develop/proc/dbcsr_get_diag_c~2.html @@ -74,20 +74,20 @@

    dbcsr_get_diag_c
  • 5 statements + title=" 0.0% of total for procedures.">25 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -204,10 +204,44 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_get_diag_c (matrix, diag)
-         TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         COMPLEX(kind=real_4), DIMENSION(:), INTENT(OUT)                 :: diag
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix
+         COMPLEX(kind=real_4), DIMENSION(:), INTENT(OUT)         :: diag
 
-         CALL dbcsr_get_diag_prv(matrix%prv, diag)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_diag'
+
+         INTEGER                                            :: icol, irow, row_offset, handle, i
+         LOGICAL                                            :: tr
+         TYPE(dbcsr_iterator)                               :: iter
+         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_4) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
+            DBCSR_ABORT("Diagonal has wrong size")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         diag(:) = CMPLX(0.0, 0.0, real_4)
+
+         CALL dbcsr_iterator_start(iter, matrix)
+         DO WHILE (dbcsr_iterator_blocks_left(iter))
+            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
+            IF (irow /= icol) CYCLE
+
+            IF (sIZE(block, 1) /= sIZE(block, 2)) &
+               DBCSR_ABORT("Diagonal block non-squared")
+
+            DO i = 1, sIZE(block, 1)
+               diag(row_offset + i - 1) = block(i, i)
+            END DO
+         END DO
+         CALL dbcsr_iterator_stop(iter)
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_get_diag_c
    diff --git a/develop/proc/dbcsr_get_diag_d.html b/develop/proc/dbcsr_get_diag_d.html index 2a727632249..6c7f43a58eb 100644 --- a/develop/proc/dbcsr_get_diag_d.html +++ b/develop/proc/dbcsr_get_diag_d.html @@ -74,20 +74,20 @@

    dbcsr_get_diag_d
  • 25 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -204,44 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_get_diag_d (matrix, diag)
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix
-         REAL(kind=real_8), DIMENSION(:), INTENT(OUT)         :: diag
+         TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         REAL(kind=real_8), DIMENSION(:), INTENT(OUT)                 :: diag
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_diag'
-
-         INTEGER                                            :: icol, irow, row_offset, handle, i
-         LOGICAL                                            :: tr
-         TYPE(dbcsr_iterator)                               :: iter
-         REAL(kind=real_8), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_8) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
-            DBCSR_ABORT("Diagonal has wrong size")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         diag(:) = 0.0_real_8
-
-         CALL dbcsr_iterator_start(iter, matrix)
-         DO WHILE (dbcsr_iterator_blocks_left(iter))
-            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
-            IF (irow /= icol) CYCLE
-
-            IF (sIZE(block, 1) /= sIZE(block, 2)) &
-               DBCSR_ABORT("Diagonal block non-squared")
-
-            DO i = 1, sIZE(block, 1)
-               diag(row_offset + i - 1) = block(i, i)
-            END DO
-         END DO
-         CALL dbcsr_iterator_stop(iter)
-
-         CALL timestop(handle)
+         CALL dbcsr_get_diag_prv(matrix%prv, diag)
       END SUBROUTINE dbcsr_get_diag_d
    diff --git a/develop/proc/dbcsr_get_diag_d~2.html b/develop/proc/dbcsr_get_diag_d~2.html index 5a4fc6ab6d3..ee583291793 100644 --- a/develop/proc/dbcsr_get_diag_d~2.html +++ b/develop/proc/dbcsr_get_diag_d~2.html @@ -74,20 +74,20 @@

    dbcsr_get_diag_d
  • 5 statements + title=" 0.0% of total for procedures.">25 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -204,10 +204,44 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_get_diag_d (matrix, diag)
-         TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         REAL(kind=real_8), DIMENSION(:), INTENT(OUT)                 :: diag
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix
+         REAL(kind=real_8), DIMENSION(:), INTENT(OUT)         :: diag
 
-         CALL dbcsr_get_diag_prv(matrix%prv, diag)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_diag'
+
+         INTEGER                                            :: icol, irow, row_offset, handle, i
+         LOGICAL                                            :: tr
+         TYPE(dbcsr_iterator)                               :: iter
+         REAL(kind=real_8), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_8) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
+            DBCSR_ABORT("Diagonal has wrong size")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         diag(:) = 0.0_real_8
+
+         CALL dbcsr_iterator_start(iter, matrix)
+         DO WHILE (dbcsr_iterator_blocks_left(iter))
+            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
+            IF (irow /= icol) CYCLE
+
+            IF (sIZE(block, 1) /= sIZE(block, 2)) &
+               DBCSR_ABORT("Diagonal block non-squared")
+
+            DO i = 1, sIZE(block, 1)
+               diag(row_offset + i - 1) = block(i, i)
+            END DO
+         END DO
+         CALL dbcsr_iterator_stop(iter)
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_get_diag_d
    diff --git a/develop/proc/dbcsr_get_diag_s.html b/develop/proc/dbcsr_get_diag_s.html index 884bac9449d..971627a6129 100644 --- a/develop/proc/dbcsr_get_diag_s.html +++ b/develop/proc/dbcsr_get_diag_s.html @@ -74,20 +74,20 @@

    dbcsr_get_diag_s
  • 25 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -204,44 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_get_diag_s (matrix, diag)
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix
-         REAL(kind=real_4), DIMENSION(:), INTENT(OUT)         :: diag
+         TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         REAL(kind=real_4), DIMENSION(:), INTENT(OUT)                 :: diag
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_diag'
-
-         INTEGER                                            :: icol, irow, row_offset, handle, i
-         LOGICAL                                            :: tr
-         TYPE(dbcsr_iterator)                               :: iter
-         REAL(kind=real_4), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_4) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
-            DBCSR_ABORT("Diagonal has wrong size")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         diag(:) = 0.0_real_4
-
-         CALL dbcsr_iterator_start(iter, matrix)
-         DO WHILE (dbcsr_iterator_blocks_left(iter))
-            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
-            IF (irow /= icol) CYCLE
-
-            IF (sIZE(block, 1) /= sIZE(block, 2)) &
-               DBCSR_ABORT("Diagonal block non-squared")
-
-            DO i = 1, sIZE(block, 1)
-               diag(row_offset + i - 1) = block(i, i)
-            END DO
-         END DO
-         CALL dbcsr_iterator_stop(iter)
-
-         CALL timestop(handle)
+         CALL dbcsr_get_diag_prv(matrix%prv, diag)
       END SUBROUTINE dbcsr_get_diag_s
    diff --git a/develop/proc/dbcsr_get_diag_s~2.html b/develop/proc/dbcsr_get_diag_s~2.html index 119cfd6a26a..a23c4afda39 100644 --- a/develop/proc/dbcsr_get_diag_s~2.html +++ b/develop/proc/dbcsr_get_diag_s~2.html @@ -74,20 +74,20 @@

    dbcsr_get_diag_s
  • 5 statements + title=" 0.0% of total for procedures.">25 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -204,10 +204,44 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_get_diag_s (matrix, diag)
-         TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         REAL(kind=real_4), DIMENSION(:), INTENT(OUT)                 :: diag
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix
+         REAL(kind=real_4), DIMENSION(:), INTENT(OUT)         :: diag
 
-         CALL dbcsr_get_diag_prv(matrix%prv, diag)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_diag'
+
+         INTEGER                                            :: icol, irow, row_offset, handle, i
+         LOGICAL                                            :: tr
+         TYPE(dbcsr_iterator)                               :: iter
+         REAL(kind=real_4), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_4) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
+            DBCSR_ABORT("Diagonal has wrong size")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         diag(:) = 0.0_real_4
+
+         CALL dbcsr_iterator_start(iter, matrix)
+         DO WHILE (dbcsr_iterator_blocks_left(iter))
+            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
+            IF (irow /= icol) CYCLE
+
+            IF (sIZE(block, 1) /= sIZE(block, 2)) &
+               DBCSR_ABORT("Diagonal block non-squared")
+
+            DO i = 1, sIZE(block, 1)
+               diag(row_offset + i - 1) = block(i, i)
+            END DO
+         END DO
+         CALL dbcsr_iterator_stop(iter)
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_get_diag_s
    diff --git a/develop/proc/dbcsr_get_diag_z.html b/develop/proc/dbcsr_get_diag_z.html index 930e6b9040f..8971a3b7ced 100644 --- a/develop/proc/dbcsr_get_diag_z.html +++ b/develop/proc/dbcsr_get_diag_z.html @@ -74,20 +74,20 @@

    dbcsr_get_diag_z
  • 25 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -204,44 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_get_diag_z (matrix, diag)
-         TYPE(dbcsr_type), INTENT(IN)               :: matrix
-         COMPLEX(kind=real_8), DIMENSION(:), INTENT(OUT)         :: diag
+         TYPE(dbcsr_type), INTENT(IN)                       :: matrix
+         COMPLEX(kind=real_8), DIMENSION(:), INTENT(OUT)                 :: diag
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_diag'
-
-         INTEGER                                            :: icol, irow, row_offset, handle, i
-         LOGICAL                                            :: tr
-         TYPE(dbcsr_iterator)                               :: iter
-         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_8) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
-            DBCSR_ABORT("Diagonal has wrong size")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         diag(:) = CMPLX(0.0, 0.0, real_8)
-
-         CALL dbcsr_iterator_start(iter, matrix)
-         DO WHILE (dbcsr_iterator_blocks_left(iter))
-            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
-            IF (irow /= icol) CYCLE
-
-            IF (sIZE(block, 1) /= sIZE(block, 2)) &
-               DBCSR_ABORT("Diagonal block non-squared")
-
-            DO i = 1, sIZE(block, 1)
-               diag(row_offset + i - 1) = block(i, i)
-            END DO
-         END DO
-         CALL dbcsr_iterator_stop(iter)
-
-         CALL timestop(handle)
+         CALL dbcsr_get_diag_prv(matrix%prv, diag)
       END SUBROUTINE dbcsr_get_diag_z
    diff --git a/develop/proc/dbcsr_get_diag_z~2.html b/develop/proc/dbcsr_get_diag_z~2.html index 64f960afbc1..4836cc28732 100644 --- a/develop/proc/dbcsr_get_diag_z~2.html +++ b/develop/proc/dbcsr_get_diag_z~2.html @@ -74,20 +74,20 @@

    dbcsr_get_diag_z
  • 5 statements + title=" 0.0% of total for procedures.">25 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -204,10 +204,44 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_get_diag_z (matrix, diag)
-         TYPE(dbcsr_type), INTENT(IN)                       :: matrix
-         COMPLEX(kind=real_8), DIMENSION(:), INTENT(OUT)                 :: diag
+         TYPE(dbcsr_type), INTENT(IN)               :: matrix
+         COMPLEX(kind=real_8), DIMENSION(:), INTENT(OUT)         :: diag
 
-         CALL dbcsr_get_diag_prv(matrix%prv, diag)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_get_diag'
+
+         INTEGER                                            :: icol, irow, row_offset, handle, i
+         LOGICAL                                            :: tr
+         TYPE(dbcsr_iterator)                               :: iter
+         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_8) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
+            DBCSR_ABORT("Diagonal has wrong size")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         diag(:) = CMPLX(0.0, 0.0, real_8)
+
+         CALL dbcsr_iterator_start(iter, matrix)
+         DO WHILE (dbcsr_iterator_blocks_left(iter))
+            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
+            IF (irow /= icol) CYCLE
+
+            IF (sIZE(block, 1) /= sIZE(block, 2)) &
+               DBCSR_ABORT("Diagonal block non-squared")
+
+            DO i = 1, sIZE(block, 1)
+               diag(row_offset + i - 1) = block(i, i)
+            END DO
+         END DO
+         CALL dbcsr_iterator_stop(iter)
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_get_diag_z
    diff --git a/develop/proc/dbcsr_get_global_col_map.html b/develop/proc/dbcsr_get_global_col_map.html index 4f89f4aa553..67520bb559e 100644 --- a/develop/proc/dbcsr_get_global_col_map.html +++ b/develop/proc/dbcsr_get_global_col_map.html @@ -159,7 +159,7 @@

    Arguments
    - + type(dbcsr_distribution_obj), intent(inout)
    - + type(array_i1d_obj), intent(out)
    - + type(dbcsr_distribution_obj), intent(inout)
    - + type(array_i1d_obj), intent(out)
    - + type(dbcsr_imagedistribution_obj), intent(inout)
    - + type(dbcsr_imagedistribution_obj), intent(inout)
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    matrix to query

    +
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - - type(dbcsr_distribution_obj), + + type(dbcsr_distribution_type), intent(out), optional @@ -454,12 +453,12 @@

    Arguments

    		:: distribution -

    the data distribution of the matrix

    +
    - + character(len=*), intent(out), :: name -

    matrix name

    -
    - - type(dbcsr_data_obj), - intent(out),optional - - ::data_area -

    data_area

    +
    intent(out), optional :: matrix_type -

    matrix type (regular, symmetric, see dbcsr_types.F for values)

    +
    - + integer, intent(out), optional :: data_type -

    data type (single/double precision real/complex)

    +
    - - type(mp_comm_type), + + integer, intent(out), optional @@ -555,64 +539,57 @@

    Source Code

    nfullrows_local, nfullcols_local, & my_prow, my_pcol, & local_rows, local_cols, proc_row_dist, proc_col_dist, & - row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, data_area, & - matrix_type, data_type, group) - !! Gets information about a matrix - + row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, & + distribution, name, matrix_type, data_type, & + group) TYPE(dbcsr_type), INTENT(IN) :: matrix - !! matrix to query INTEGER, INTENT(OUT), OPTIONAL :: nblkrows_total, nblkcols_total, nfullrows_total, & nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, & my_prow, my_pcol - INTEGER, DIMENSION(:), OPTIONAL, POINTER :: local_rows, local_cols, proc_row_dist, & - proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset - TYPE(dbcsr_distribution_obj), INTENT(OUT), & + INTEGER, DIMENSION(:), OPTIONAL, POINTER :: local_rows, local_cols, proc_row_dist, & + proc_col_dist, & + row_blk_size, col_blk_size, & + row_blk_offset, col_blk_offset + TYPE(dbcsr_distribution_type), INTENT(OUT), & OPTIONAL :: distribution - !! the data distribution of the matrix CHARACTER(len=*), INTENT(OUT), OPTIONAL :: name - !! matrix name - TYPE(dbcsr_data_obj), INTENT(OUT), OPTIONAL :: data_area - !! data_area - CHARACTER, OPTIONAL :: matrix_type - !! matrix type (regular, symmetric, see dbcsr_types.F for values) - INTEGER, OPTIONAL :: data_type - !! data type (single/double precision real/complex) - TYPE(mp_comm_type), INTENT(OUT), OPTIONAL :: group - -! --------------------------------------------------------------------------- - - !vw avoid massive printing of warnings - !DBCSR_WARN("Invalid matrix") - IF (PRESENT(nblkrows_total)) nblkrows_total = matrix%nblkrows_total - IF (PRESENT(nblkcols_total)) nblkcols_total = matrix%nblkcols_total - IF (PRESENT(nfullrows_total)) nfullrows_total = matrix%nfullrows_total - IF (PRESENT(nfullcols_total)) nfullcols_total = matrix%nfullcols_total - IF (PRESENT(nblkrows_local)) nblkrows_local = matrix%nblkrows_local - IF (PRESENT(nblkcols_local)) nblkcols_local = matrix%nblkcols_local - IF (PRESENT(nfullrows_local)) nfullrows_local = matrix%nfullrows_local - IF (PRESENT(nfullcols_local)) nfullcols_local = matrix%nfullcols_local - IF (PRESENT(row_blk_size)) row_blk_size => array_data(matrix%row_blk_size) - IF (PRESENT(col_blk_size)) col_blk_size => array_data(matrix%col_blk_size) - IF (PRESENT(row_blk_offset)) row_blk_offset => array_data(matrix%row_blk_offset) - IF (PRESENT(col_blk_offset)) col_blk_offset => array_data(matrix%col_blk_offset) - IF (PRESENT(distribution)) distribution = matrix%dist - IF (PRESENT(name)) name = matrix%name - IF (PRESENT(data_area)) data_area = matrix%data_area - IF (PRESENT(data_type)) data_type = matrix%data_type - IF (PRESENT(local_rows)) local_rows => dbcsr_distribution_local_rows(matrix%dist) - IF (PRESENT(local_cols)) local_cols => dbcsr_distribution_local_cols(matrix%dist) - IF (PRESENT(proc_row_dist)) proc_row_dist => dbcsr_distribution_row_dist(matrix%dist) - IF (PRESENT(proc_col_dist)) proc_col_dist => dbcsr_distribution_col_dist(matrix%dist) - IF (PRESENT(my_prow)) my_prow = dbcsr_mp_myprow(dbcsr_distribution_mp(matrix%dist)) - IF (PRESENT(my_pcol)) my_pcol = dbcsr_mp_mypcol(dbcsr_distribution_mp(matrix%dist)) - IF (PRESENT(matrix_type)) matrix_type = dbcsr_get_matrix_type(matrix) - - IF (PRESENT(group)) group = dbcsr_mp_group(matrix%dist%d%mp_env) ! a shortcut - !IF (PRESENT(matrix_type)) THEN - ! matrix_type = dbcsr_get_matrix_type(matrix) - ! IF (matrix_type .EQ. dbcsr_type_invalid) & - ! DBCSR_ABORT("Incorrect symmetry") - !ENDIF + CHARACTER, INTENT(OUT), OPTIONAL :: matrix_type + INTEGER, INTENT(OUT), OPTIONAL :: data_type, group + + TYPE(dbcsr_dist_prv_obj) :: dist + TYPE(mp_comm_type) :: my_group + + CALL dbcsr_get_info_prv(matrix=matrix%prv, & + nblkrows_total=nblkrows_total, & + nblkcols_total=nblkcols_total, & + nfullrows_total=nfullrows_total, & + nfullcols_total=nfullcols_total, & + nblkrows_local=nblkrows_local, & + nblkcols_local=nblkcols_local, & + nfullrows_local=nfullrows_local, & + nfullcols_local=nfullcols_local, & + my_prow=my_prow, & + my_pcol=my_pcol, & + local_rows=local_rows, & + local_cols=local_cols, & + proc_row_dist=proc_row_dist, & + proc_col_dist=proc_col_dist, & + row_blk_size=row_blk_size, & + col_blk_size=col_blk_size, & + row_blk_offset=row_blk_offset, & + col_blk_offset=col_blk_offset, & + distribution=dist, & + name=name, & + matrix_type=matrix_type, & + data_type=data_type, & + group=my_group) + + IF (PRESENT(distribution)) THEN + distribution%prv = dist + END IF + + IF (PRESENT(group)) group = my_group%get_handle() + END SUBROUTINE dbcsr_get_info diff --git a/develop/proc/dbcsr_get_info~2.html b/develop/proc/dbcsr_get_info~2.html index c8fbb198a2e..63dd3cf044b 100644 --- a/develop/proc/dbcsr_get_info~2.html +++ b/develop/proc/dbcsr_get_info~2.html @@ -74,20 +74,20 @@

    dbcsr_get_info
  • 16 statements + title=" 0.1% of total for procedures.">35 statements
  • - Source File + Source File
    • @@ -139,10 +139,11 @@

    Contents

    -

    public subroutine dbcsr_get_info(matrix, nblkrows_total, nblkcols_total, nfullrows_total, nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, my_prow, my_pcol, local_rows, local_cols, proc_row_dist, proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, matrix_type, data_type, group) +

    public subroutine dbcsr_get_info(matrix, nblkrows_total, nblkcols_total, nfullrows_total, nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, my_prow, my_pcol, local_rows, local_cols, proc_row_dist, proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, data_area, matrix_type, data_type, group)

    +

    Gets information about a matrix

    Arguments

    @@ -158,8 +159,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    matrix to query
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - type(dbcsr_distribution_type), + type(dbcsr_distribution_obj), intent(out), optional @@ -453,7 +454,7 @@

    Arguments

    		:: distribution - +

    the data distribution of the matrix
    :: name - +

    matrix name
    - - character(len=1), + + type(dbcsr_data_obj), intent(out), optional + ::data_area +

    data_area

    +
    + + character(len=1), + optional + :: matrix_type - +

    matrix type (regular, symmetric, see dbcsr_types.F for values)
    intent(out), optional :: data_type - +

    data type (single/double precision real/complex)
    - - integer, + + type(mp_comm_type), intent(out), optional @@ -539,57 +555,64 @@

    Source Code

    nfullrows_local, nfullcols_local, & my_prow, my_pcol, & local_rows, local_cols, proc_row_dist, proc_col_dist, & - row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, & - distribution, name, matrix_type, data_type, & - group) + row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, data_area, & + matrix_type, data_type, group) + !! Gets information about a matrix + TYPE(dbcsr_type), INTENT(IN) :: matrix + !! matrix to query INTEGER, INTENT(OUT), OPTIONAL :: nblkrows_total, nblkcols_total, nfullrows_total, & nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, & my_prow, my_pcol - INTEGER, DIMENSION(:), OPTIONAL, POINTER :: local_rows, local_cols, proc_row_dist, & - proc_col_dist, & - row_blk_size, col_blk_size, & - row_blk_offset, col_blk_offset - TYPE(dbcsr_distribution_type), INTENT(OUT), & + INTEGER, DIMENSION(:), OPTIONAL, POINTER :: local_rows, local_cols, proc_row_dist, & + proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset + TYPE(dbcsr_distribution_obj), INTENT(OUT), & OPTIONAL :: distribution + !! the data distribution of the matrix CHARACTER(len=*), INTENT(OUT), OPTIONAL :: name - CHARACTER, INTENT(OUT), OPTIONAL :: matrix_type - INTEGER, INTENT(OUT), OPTIONAL :: data_type, group - - TYPE(dbcsr_dist_prv_obj) :: dist - TYPE(mp_comm_type) :: my_group - - CALL dbcsr_get_info_prv(matrix=matrix%prv, & - nblkrows_total=nblkrows_total, & - nblkcols_total=nblkcols_total, & - nfullrows_total=nfullrows_total, & - nfullcols_total=nfullcols_total, & - nblkrows_local=nblkrows_local, & - nblkcols_local=nblkcols_local, & - nfullrows_local=nfullrows_local, & - nfullcols_local=nfullcols_local, & - my_prow=my_prow, & - my_pcol=my_pcol, & - local_rows=local_rows, & - local_cols=local_cols, & - proc_row_dist=proc_row_dist, & - proc_col_dist=proc_col_dist, & - row_blk_size=row_blk_size, & - col_blk_size=col_blk_size, & - row_blk_offset=row_blk_offset, & - col_blk_offset=col_blk_offset, & - distribution=dist, & - name=name, & - matrix_type=matrix_type, & - data_type=data_type, & - group=my_group) - - IF (PRESENT(distribution)) THEN - distribution%prv = dist - END IF - - IF (PRESENT(group)) group = my_group%get_handle() - + !! matrix name + TYPE(dbcsr_data_obj), INTENT(OUT), OPTIONAL :: data_area + !! data_area + CHARACTER, OPTIONAL :: matrix_type + !! matrix type (regular, symmetric, see dbcsr_types.F for values) + INTEGER, OPTIONAL :: data_type + !! data type (single/double precision real/complex) + TYPE(mp_comm_type), INTENT(OUT), OPTIONAL :: group + +! --------------------------------------------------------------------------- + + !vw avoid massive printing of warnings + !DBCSR_WARN("Invalid matrix") + IF (PRESENT(nblkrows_total)) nblkrows_total = matrix%nblkrows_total + IF (PRESENT(nblkcols_total)) nblkcols_total = matrix%nblkcols_total + IF (PRESENT(nfullrows_total)) nfullrows_total = matrix%nfullrows_total + IF (PRESENT(nfullcols_total)) nfullcols_total = matrix%nfullcols_total + IF (PRESENT(nblkrows_local)) nblkrows_local = matrix%nblkrows_local + IF (PRESENT(nblkcols_local)) nblkcols_local = matrix%nblkcols_local + IF (PRESENT(nfullrows_local)) nfullrows_local = matrix%nfullrows_local + IF (PRESENT(nfullcols_local)) nfullcols_local = matrix%nfullcols_local + IF (PRESENT(row_blk_size)) row_blk_size => array_data(matrix%row_blk_size) + IF (PRESENT(col_blk_size)) col_blk_size => array_data(matrix%col_blk_size) + IF (PRESENT(row_blk_offset)) row_blk_offset => array_data(matrix%row_blk_offset) + IF (PRESENT(col_blk_offset)) col_blk_offset => array_data(matrix%col_blk_offset) + IF (PRESENT(distribution)) distribution = matrix%dist + IF (PRESENT(name)) name = matrix%name + IF (PRESENT(data_area)) data_area = matrix%data_area + IF (PRESENT(data_type)) data_type = matrix%data_type + IF (PRESENT(local_rows)) local_rows => dbcsr_distribution_local_rows(matrix%dist) + IF (PRESENT(local_cols)) local_cols => dbcsr_distribution_local_cols(matrix%dist) + IF (PRESENT(proc_row_dist)) proc_row_dist => dbcsr_distribution_row_dist(matrix%dist) + IF (PRESENT(proc_col_dist)) proc_col_dist => dbcsr_distribution_col_dist(matrix%dist) + IF (PRESENT(my_prow)) my_prow = dbcsr_mp_myprow(dbcsr_distribution_mp(matrix%dist)) + IF (PRESENT(my_pcol)) my_pcol = dbcsr_mp_mypcol(dbcsr_distribution_mp(matrix%dist)) + IF (PRESENT(matrix_type)) matrix_type = dbcsr_get_matrix_type(matrix) + + IF (PRESENT(group)) group = dbcsr_mp_group(matrix%dist%d%mp_env) ! a shortcut + !IF (PRESENT(matrix_type)) THEN + ! matrix_type = dbcsr_get_matrix_type(matrix) + ! IF (matrix_type .EQ. dbcsr_type_invalid) & + ! DBCSR_ABORT("Incorrect symmetry") + !ENDIF END SUBROUTINE dbcsr_get_info diff --git a/develop/proc/dbcsr_get_local_cols.html b/develop/proc/dbcsr_get_local_cols.html index cb06ece1f97..36b0938bef6 100644 --- a/develop/proc/dbcsr_get_local_cols.html +++ b/develop/proc/dbcsr_get_local_cols.html @@ -159,7 +159,7 @@

    Arguments
    - + type(dbcsr_distribution_obj), intent(inout)
    - + type(array_i1d_obj), intent(out)
    - + type(dbcsr_distribution_obj), intent(inout)
    - + type(dbcsr_imagedistribution_obj), intent(inout)
    - + type(dbcsr_imagedistribution_obj), intent(inout)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,7 +168,7 @@

    Arguments

    		:: matrix -

    query this matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    query this matrix
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,7 +168,7 @@

    Arguments

    		:: matrix -

    matrix from which to get data

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    matrix from which to get data
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,7 +168,7 @@

    Arguments

    		:: matrix -

    matrix from which to get the occupation

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    matrix from which to get the occupation
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + logical, intent(out)
    - + integer, intent(out)
    - + logical, intent(out),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(out),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(out),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -170,14 +168,13 @@

    Arguments

    		:: matrix_a -

    DBCSR matrix -DBCSR matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -186,14 +183,13 @@

    Arguments

    		:: matrix_b -

    DBCSR matrix -DBCSR matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -202,7 +198,7 @@

    Arguments

    		:: matrix_c -

    DBCSR matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,13 +170,14 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrix +DBCSR matrix
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -183,13 +186,14 @@

    Arguments

    		:: matrix_b - +

    DBCSR matrix +DBCSR matrix
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -198,7 +202,7 @@

    Arguments

    		:: matrix_c - +

    DBCSR matrix
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,7 +168,7 @@

    Arguments

    		:: matrix -

    query this matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    query this matrix
    - + integer(kind=valt), intent(in),
    - + integer(kind=keyt), intent(out)
    - + integer(kind=valt), intent(out)
    - + logical, intent(out)
    - + integer, intent(in)
    - + integer(kind=keyt), intent(out)
    - + integer(kind=valt), intent(out)
    - + logical, intent(out)
    - + integer(kind=valt), intent(in)
    - + integer(kind=keyt), intent(in)
    - + integer(kind=valt), intent(in)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in)
    - + type(mp_request_type), intent(inout)
    - + type(dbcsr_imagedistribution_obj), intent(inout)
    - + type(dbcsr_imagedistribution_obj), intent(out)
    - + type(dbcsr_imagedistribution_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in)
    - + type(dbcsr_type),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -174,7 +173,7 @@

    Arguments

    - + logical,
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,7 +174,7 @@

    Arguments

    - + logical,
    - + type(dbcsr_work_type), intent(out)
    - + integer, intent(in)
    - + type(dbcsr_memtype_type), intent(in),
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in)
    - + type(mp_request_type), intent(out)
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in)
    - + type(mp_request_type), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in)
    - + type(mp_request_type), intent(out)
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in)
    - + type(mp_request_type), intent(out)
    - + type(mp_request_type), intent(out)
    - + type(dbcsr_iterator), intent(in)
    - + type(dbcsr_iterator_type), intent(in)
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_4),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_8),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_4),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_8),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_4),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_8),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_4),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_8),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out)
    - + integer, intent(out)
    - + integer, intent(out),
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(in)
    - + type(dbcsr_iterator), intent(out)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_iterator_type), intent(out)
    - + type(dbcsr_type), intent(in)
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_iterator), intent(inout)
    - + type(dbcsr_iterator_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_logger_type),
    - + type(dbcsr_mp_obj),
    - + type(dbcsr_logger_type),
    - + character(len=*), intent(inout)
    - + character(len=*), intent(in)
    - + logical, intent(in),
    - + type(dbcsr_logger_type),
    - + type(dbcsr_logger_type),
    - + logical, intent(in),
    - + type(dbcsr_logger_type),
    - + logical, intent(in),
    - + type(dbcsr_logger_type),
    - + type(dbcsr_logger_type),
    - + type(dbcsr_logger_type),
    - + type(dbcsr_logger_type),
    - + type(dbcsr_logger_type),
    - + logical, intent(in)
    - + integer, intent(in)
    - + type(array_i1d_obj), intent(out)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_scalar_type), intent(in),
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_distribution_obj), intent(inout)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in)
    - + logical, intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_2d_array_type), intent(inout)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + logical, intent(in)
    - + logical, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + logical, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_distribution_obj), intent(out)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in),
    - + type(dbcsr_mp_obj), intent(out)
    - + type(mp_comm_type), intent(in),
    - + integer, intent(out),
    - + integer, intent(in)
    - + type(dbcsr_type), intent(out)
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + character(len=*), intent(in)
    - + real(kind=real_8), intent(in)
    - + type(mp_comm_type), intent(in)
    - + integer, intent(in),
    - + character(len=1), intent(in),
    - + type(dbcsr_distribution_obj), intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(array_i1d_obj), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,7 +168,7 @@

    Arguments

    		:: matrix -

    the matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    the matrix
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_data_obj)
    - + type(dbcsr_mempool_type),
    - + type(dbcsr_mempool_type),
    - + type(dbcsr_mempool_type),
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_mempool_type),
    - + integer, intent(in)
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(acc_stream_type),
    - + real(kind=dp),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_mm_accdrv_type), intent(inout)
    - + type(dbcsr_mm_accdrv_type), intent(inout)
    - + type(dbcsr_mm_accdrv_type), intent(inout)
    - + type(dbcsr_work_type),
    - + integer,
    - + logical, intent(in)
    - + type(dbcsr_mm_accdrv_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(inout),
    - + integer, intent(in)
    - + type(stack_descriptor_type), intent(in)
    - + logical, intent(out)
    - + logical, intent(out)
    - + type(dbcsr_mm_csr_type), intent(inout)
    - + type(dbcsr_mm_csr_type), intent(inout)
    - + type(dbcsr_mm_csr_type), intent(inout)
    - + type(dbcsr_type), intent(in),
    - + type(dbcsr_type), intent(in),
    - + integer,
    - + integer,
    - + integer,
    - + logical, intent(in)
    - + type(dbcsr_mm_csr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + logical, intent(inout)
    - + real(kind=sp),
    - + integer(kind=int_8), intent(inout)
    - + type(dbcsr_mm_csr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(inout)
    - + integer, intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in)
    - + real(kind=sp),
    - + integer(kind=int_8), intent(inout)
    - + type(dbcsr_mm_csr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_mm_csr_type), intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(in)
    - + integer(kind=int_8), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in)
    - + type(dbcsr_mm_hostdrv_type), intent(inout)
    - + type(dbcsr_work_type),
    - + type(dbcsr_mm_hostdrv_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(inout),
    - + integer, intent(in)
    - + type(stack_descriptor_type), intent(in)
    - + logical, intent(out)
    - + logical, intent(out)
    - + type(dbcsr_mm_multrec_type), intent(inout)
    - + type(dbcsr_mm_multrec_type), intent(inout)
    - + type(dbcsr_mm_multrec_type), intent(in)
    - + type(dbcsr_mm_multrec_type), intent(in)
    - + type(dbcsr_mm_multrec_type), intent(out)
    - + type(dbcsr_type), intent(in),
    - + logical, intent(in)
    - + real(kind=real_8), intent(in),
    - + real(kind=sp), intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer,
    - + logical, intent(in),
    - + type(dbcsr_mm_multrec_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer(kind=int_8), intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_mm_multrec_type), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + integer(kind=int_8), intent(inout)
    - + type(dbcsr_mm_sched_type), intent(inout)
    - + type(dbcsr_mm_sched_type), intent(inout)
    - + type(dbcsr_mm_sched_type), intent(inout)
    - + type(dbcsr_mm_sched_type), intent(inout)
    - + type(dbcsr_work_type),
    - + integer,
    - + logical, intent(in)
    - + type(mp_comm_type), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_mm_sched_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer,
    - + integer,
    - + type(stack_descriptor_type), intent(in)
    - + type(dbcsr_mm_sched_type), intent(inout)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(mp_comm_type), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_mp_obj), intent(inout)
    - + type(dbcsr_distribution_type), intent(inout)
    - + type(dbcsr_mp_obj), intent(inout)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(inout)
    - + type(dbcsr_mp_obj), intent(out)
    - + type(dbcsr_mp_obj), intent(out)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(out)
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_mp_obj), intent(out)
    - + integer,
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + type(dbcsr_mp_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + complex(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -218,8 +218,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -233,7 +233,7 @@

    Arguments

    - + complex(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -263,7 +263,7 @@

    Arguments

    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer(kind=int_8), intent(out),
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -218,8 +218,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -233,7 +233,7 @@

    Arguments

    - + complex(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -263,7 +263,7 @@

    Arguments

    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer(kind=int_8), intent(out),
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + real(kind=real_8), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -218,8 +218,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -233,7 +233,7 @@

    Arguments

    - + real(kind=real_8), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -263,7 +263,7 @@

    Arguments

    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer(kind=int_8), intent(out),
    - + real(kind=real_8), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -218,8 +218,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -249,7 +249,7 @@

    Arguments

    - type(dbcsr_type), + type(dbcsr_type), intent(inout) @@ -278,7 +278,7 @@

    Arguments

    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + type(dbcsr_scalar_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_scalar_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer(kind=int_8), intent(out),
    - + integer, intent(in)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + real(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -218,8 +218,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -233,7 +233,7 @@

    Arguments

    - + real(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -263,7 +263,7 @@

    Arguments

    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer(kind=int_8), intent(out),
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + real(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -218,8 +218,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -233,7 +233,7 @@

    Arguments

    - + real(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -263,7 +263,7 @@

    Arguments

    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer(kind=int_8), intent(out),
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + complex(kind=real_8), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -218,8 +218,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -233,7 +233,7 @@

    Arguments

    - + complex(kind=real_8), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -263,7 +263,7 @@

    Arguments

    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer(kind=int_8), intent(out),
    - + complex(kind=real_8), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -218,8 +218,8 @@

    Arguments

    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -249,7 +249,7 @@

    Arguments

    - type(dbcsr_type), + type(dbcsr_type), intent(inout) @@ -278,7 +278,7 @@

    Arguments

    - + integer, intent(in),
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_mutable_obj), intent(inout)
    - + type(dbcsr_mutable_obj), intent(out)
    - + type(dbcsr_mutable_obj), intent(in)
    - + type(dbcsr_mutable_obj), intent(inout)
    - + integer, intent(in)
    - + type(dbcsr_mutable_obj), intent(inout)
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nblkcols_local - nblkcols_local = matrix%nblkcols_local + nblkcols_local = dbcsr_nblkcols_local_prv(matrix%prv) END FUNCTION dbcsr_nblkcols_local diff --git a/develop/proc/dbcsr_nblkcols_local~2.html b/develop/proc/dbcsr_nblkcols_local~2.html index 246b1779add..90735307db6 100644 --- a/develop/proc/dbcsr_nblkcols_local~2.html +++ b/develop/proc/dbcsr_nblkcols_local~2.html @@ -79,15 +79,15 @@

    dbcsr_nblkcols_local
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nblkcols_local - nblkcols_local = dbcsr_nblkcols_local_prv(matrix%prv) + nblkcols_local = matrix%nblkcols_local END FUNCTION dbcsr_nblkcols_local diff --git a/develop/proc/dbcsr_nblkcols_total.html b/develop/proc/dbcsr_nblkcols_total.html index 10f791d56dd..02beb85b3f9 100644 --- a/develop/proc/dbcsr_nblkcols_total.html +++ b/develop/proc/dbcsr_nblkcols_total.html @@ -79,15 +79,15 @@

    dbcsr_nblkcols_total
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nblkcols_total - nblkcols_total = matrix%nblkcols_total + nblkcols_total = dbcsr_nblkcols_total_prv(matrix%prv) END FUNCTION dbcsr_nblkcols_total diff --git a/develop/proc/dbcsr_nblkcols_total~2.html b/develop/proc/dbcsr_nblkcols_total~2.html index 228b72ca994..bbd09d9fdd2 100644 --- a/develop/proc/dbcsr_nblkcols_total~2.html +++ b/develop/proc/dbcsr_nblkcols_total~2.html @@ -79,15 +79,15 @@

    dbcsr_nblkcols_total
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nblkcols_total - nblkcols_total = dbcsr_nblkcols_total_prv(matrix%prv) + nblkcols_total = matrix%nblkcols_total END FUNCTION dbcsr_nblkcols_total diff --git a/develop/proc/dbcsr_nblkrows_local.html b/develop/proc/dbcsr_nblkrows_local.html index e5e9208b64b..b807ae3af08 100644 --- a/develop/proc/dbcsr_nblkrows_local.html +++ b/develop/proc/dbcsr_nblkrows_local.html @@ -79,15 +79,15 @@

    dbcsr_nblkrows_local
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nblkrows_local - nblkrows_local = matrix%nblkrows_local + nblkrows_local = dbcsr_nblkrows_local_prv(matrix%prv) END FUNCTION dbcsr_nblkrows_local diff --git a/develop/proc/dbcsr_nblkrows_local~2.html b/develop/proc/dbcsr_nblkrows_local~2.html index 818be59a3bb..26ce69936b7 100644 --- a/develop/proc/dbcsr_nblkrows_local~2.html +++ b/develop/proc/dbcsr_nblkrows_local~2.html @@ -79,15 +79,15 @@

    dbcsr_nblkrows_local
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nblkrows_local - nblkrows_local = dbcsr_nblkrows_local_prv(matrix%prv) + nblkrows_local = matrix%nblkrows_local END FUNCTION dbcsr_nblkrows_local diff --git a/develop/proc/dbcsr_nblkrows_total.html b/develop/proc/dbcsr_nblkrows_total.html index c558150fe0b..f0a6d44d70d 100644 --- a/develop/proc/dbcsr_nblkrows_total.html +++ b/develop/proc/dbcsr_nblkrows_total.html @@ -79,15 +79,15 @@

    dbcsr_nblkrows_total
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nblkrows_total - nblkrows_total = matrix%nblkrows_total + nblkrows_total = dbcsr_nblkrows_total_prv(matrix%prv) END FUNCTION dbcsr_nblkrows_total diff --git a/develop/proc/dbcsr_nblkrows_total~2.html b/develop/proc/dbcsr_nblkrows_total~2.html index 23dcea7dcc8..4ae1bd201a0 100644 --- a/develop/proc/dbcsr_nblkrows_total~2.html +++ b/develop/proc/dbcsr_nblkrows_total~2.html @@ -79,15 +79,15 @@

    dbcsr_nblkrows_total
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nblkrows_total - nblkrows_total = dbcsr_nblkrows_total_prv(matrix%prv) + nblkrows_total = matrix%nblkrows_total END FUNCTION dbcsr_nblkrows_total diff --git a/develop/proc/dbcsr_new_image_dist.html b/develop/proc/dbcsr_new_image_dist.html index 72a69bca379..0078fef80ea 100644 --- a/develop/proc/dbcsr_new_image_dist.html +++ b/develop/proc/dbcsr_new_image_dist.html @@ -158,7 +158,7 @@

    Arguments
    - + type(dbcsr_imagedistribution_obj), intent(out)
    - + type(dbcsr_distribution_obj), intent(in)
    - + type(dbcsr_imagedistribution_obj), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nfullcols_total - nfullcols_total = matrix%nfullcols_total + nfullcols_total = dbcsr_nfullcols_total_prv(matrix%prv) END FUNCTION dbcsr_nfullcols_total diff --git a/develop/proc/dbcsr_nfullcols_total~2.html b/develop/proc/dbcsr_nfullcols_total~2.html index 18fbae09ef5..8748777c7ee 100644 --- a/develop/proc/dbcsr_nfullcols_total~2.html +++ b/develop/proc/dbcsr_nfullcols_total~2.html @@ -79,15 +79,15 @@

    dbcsr_nfullcols_total
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nfullcols_total - nfullcols_total = dbcsr_nfullcols_total_prv(matrix%prv) + nfullcols_total = matrix%nfullcols_total END FUNCTION dbcsr_nfullcols_total diff --git a/develop/proc/dbcsr_nfullrows_local.html b/develop/proc/dbcsr_nfullrows_local.html index 80a2259aa4e..dbae51224a1 100644 --- a/develop/proc/dbcsr_nfullrows_local.html +++ b/develop/proc/dbcsr_nfullrows_local.html @@ -158,7 +158,7 @@

    Arguments
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -176,7 +176,7 @@

    Arguments

    Return Value - + integer

    @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nfullrows_total - nfullrows_total = matrix%nfullrows_total + nfullrows_total = dbcsr_nfullrows_total_prv(matrix%prv) END FUNCTION dbcsr_nfullrows_total diff --git a/develop/proc/dbcsr_nfullrows_total~2.html b/develop/proc/dbcsr_nfullrows_total~2.html index 00e3629195d..3e373404c52 100644 --- a/develop/proc/dbcsr_nfullrows_total~2.html +++ b/develop/proc/dbcsr_nfullrows_total~2.html @@ -79,15 +79,15 @@

    dbcsr_nfullrows_total
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -199,7 +199,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(IN) :: matrix INTEGER :: nfullrows_total - nfullrows_total = dbcsr_nfullrows_total_prv(matrix%prv) + nfullrows_total = matrix%nfullrows_total END FUNCTION dbcsr_nfullrows_total diff --git a/develop/proc/dbcsr_norm_r8_vec.html b/develop/proc/dbcsr_norm_r8_vec.html index 89000ad276f..cf27736dc89 100644 --- a/develop/proc/dbcsr_norm_r8_vec.html +++ b/develop/proc/dbcsr_norm_r8_vec.html @@ -74,20 +74,20 @@

    dbcsr_norm_r8_vec
  • 14 statements + title=" 0.0% of total for procedures.">6 statements
  • - Source File + Source File
    • @@ -139,7 +139,7 @@

    Contents

    -

    public subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector) +

    private subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)

    @@ -158,12 +158,12 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout)intent(inout), - + TARGET :: matrix
    - real(kind=real_8), + real(kind=dp), intent(out), - DIMENSION(:), TARGET, CONTIGUOUS + DIMENSION(:) :: norm_vector
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout),intent(inout) - TARGET + :: matrix
    - + integer, intent(in)
    - - real(kind=dp), + + real(kind=real_8), intent(out), - DIMENSION(:) + DIMENSION(:), TARGET, CONTIGUOUS :: norm_vector
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout)intent(inout), - + TARGET :: matrix -

    the matrix

    +
    - real(kind=real_8), + real(kind=dp), intent(out) @@ -211,6 +216,20 @@

    Arguments

    +
    +

    Source Code

    + 
       SUBROUTINE dbcsr_norm_scalar(matrix, which_norm, norm_scalar)
+
+      TYPE(dbcsr_type), INTENT(INOUT), TARGET            :: matrix
+      INTEGER, INTENT(IN)                                :: which_norm
+      REAL(dp), INTENT(OUT)                              :: norm_scalar
+
+      CALL dbcsr_norm_scalar_prv(matrix%prv, which_norm, norm_scalar)
+   END SUBROUTINE dbcsr_norm_scalar
+
    + +
    +
    diff --git a/develop/proc/dbcsr_norm_scalar~2.html b/develop/proc/dbcsr_norm_scalar~2.html index 766b700ccec..dc557693b5f 100644 --- a/develop/proc/dbcsr_norm_scalar~2.html +++ b/develop/proc/dbcsr_norm_scalar~2.html @@ -74,20 +74,20 @@

    dbcsr_norm_scalar
  • 6 statements + title=" 0.0% of total for procedures.">19 statements
  • - Source File + Source File
    • @@ -126,12 +126,6 @@

    Contents

    -
    -

    Source Code

    -
    - dbcsr_norm_scalar -
    -
    @@ -139,10 +133,11 @@

    Contents

    -

    private subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar) +

    public subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar)

    +

    compute a norm of a dbcsr matrix

    Arguments

    @@ -158,22 +153,22 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout),intent(inout) - TARGET + :: matrix - +

    the matrix
    - + integer, intent(in)
    - real(kind=dp), + real(kind=real_8), intent(out) @@ -216,20 +211,6 @@

    Arguments

    -
    -

    Source Code

    - 
       SUBROUTINE dbcsr_norm_scalar(matrix, which_norm, norm_scalar)
-
-      TYPE(dbcsr_type), INTENT(INOUT), TARGET            :: matrix
-      INTEGER, INTENT(IN)                                :: which_norm
-      REAL(dp), INTENT(OUT)                              :: norm_scalar
-
-      CALL dbcsr_norm_scalar_prv(matrix%prv, which_norm, norm_scalar)
-   END SUBROUTINE dbcsr_norm_scalar
-
    - -
    -
    diff --git a/develop/proc/dbcsr_norm_vec.html b/develop/proc/dbcsr_norm_vec.html index ffdf65e6afe..872173148d0 100644 --- a/develop/proc/dbcsr_norm_vec.html +++ b/develop/proc/dbcsr_norm_vec.html @@ -159,7 +159,7 @@

    Arguments
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    matrix

    +
    - + logical, intent(in), :: nodata -

    don't print actual data

    +
    :: matlab_format -

    don't print actual data

    +
    - + integer, intent(in), optional
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,15 +169,15 @@

    Arguments

    		:: matrix -

    matrix

    +
    - + integer, intent(in), optional
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,15 +169,15 @@

    Arguments

    		:: matrix - +

    matrix
    - + integer, intent(in), optional
    - + integer, intent(in)
    - + logical, intent(in),
    - + character(len=*), intent(in),
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + character(len=*), intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + character(len=*), intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + character(len=*), intent(in),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + character(len=*), intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    matrix
    - + logical, intent(in), :: nodata - +

    don't print actual data
    :: matlab_format - +

    don't print actual data
    - + character(len=*), intent(in),
    - + integer, intent(in), optional
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_4), intent(in), - DIMENSION(:, :), CONTIGUOUS, TARGET + DIMENSION(:, :) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + complex(kind=real_4), intent(in), :: scale -

    scale the block being added

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_4), intent(in), - DIMENSION(:, :) + DIMENSION(:, :), CONTIGUOUS, TARGET :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + complex(kind=real_4), intent(in), :: scale - +

    scale the block being added
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_8), intent(in), - DIMENSION(:, :), CONTIGUOUS, TARGET + DIMENSION(:, :) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + real(kind=real_8), intent(in), :: scale -

    scale the block being added

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_8), intent(in), - DIMENSION(:, :) + DIMENSION(:, :), CONTIGUOUS, TARGET :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + real(kind=real_8), intent(in), :: scale - +

    scale the block being added
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_4), intent(in), - DIMENSION(:, :), CONTIGUOUS, TARGET + DIMENSION(:, :) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + real(kind=real_4), intent(in), :: scale -

    scale the block being added

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_4), intent(in), - DIMENSION(:, :) + DIMENSION(:, :), CONTIGUOUS, TARGET :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + real(kind=real_4), intent(in), :: scale - +

    scale the block being added
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_8), intent(in), - DIMENSION(:, :), CONTIGUOUS, TARGET + DIMENSION(:, :) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + complex(kind=real_8), intent(in), :: scale -

    scale the block being added

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_8), intent(in), - DIMENSION(:, :) + DIMENSION(:, :), CONTIGUOUS, TARGET :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + complex(kind=real_8), intent(in), :: scale - +

    scale the block being added
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj)
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer(kind=int_8), intent(inout),
    - + type(dbcsr_scalar_type), intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -171,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the logical row -the logical column

    +
    - + integer, intent(in) :: col -

    the logical row -the logical column

    +
    - + complex(kind=real_4), intent(in), - DIMENSION(:), CONTIGUOUS + DIMENSION(:) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + complex(kind=real_4), intent(in), :: scale -

    scale the OBblock being added

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +171,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the logical row +the logical column
    - + integer, intent(in) :: col - +

    the logical row +the logical column
    - + complex(kind=real_4), intent(in), - DIMENSION(:) + DIMENSION(:), CONTIGUOUS :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + complex(kind=real_4), intent(in), :: scale - +

    scale the OBblock being added
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -171,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the logical row -the logical column

    +
    - + integer, intent(in) :: col -

    the logical row -the logical column

    +
    - + real(kind=real_8), intent(in), - DIMENSION(:), CONTIGUOUS + DIMENSION(:) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + real(kind=real_8), intent(in), :: scale -

    scale the OBblock being added

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +171,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the logical row +the logical column
    - + integer, intent(in) :: col - +

    the logical row +the logical column
    - + real(kind=real_8), intent(in), - DIMENSION(:) + DIMENSION(:), CONTIGUOUS :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + real(kind=real_8), intent(in), :: scale - +

    scale the OBblock being added
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -171,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the logical row -the logical column

    +
    - + integer, intent(in) :: col -

    the logical row -the logical column

    +
    - + real(kind=real_4), intent(in), - DIMENSION(:), CONTIGUOUS + DIMENSION(:) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + real(kind=real_4), intent(in), :: scale -

    scale the OBblock being added

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +171,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the logical row +the logical column
    - + integer, intent(in) :: col - +

    the logical row +the logical column
    - + real(kind=real_4), intent(in), - DIMENSION(:) + DIMENSION(:), CONTIGUOUS :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + real(kind=real_4), intent(in), :: scale - +

    scale the OBblock being added
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -171,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the logical row -the logical column

    +
    - + integer, intent(in) :: col -

    the logical row -the logical column

    +
    - + complex(kind=real_8), intent(in), - DIMENSION(:), CONTIGUOUS + DIMENSION(:) :: block -

    the block to put

    -
    - - integer, - intent(inout),optional, - DIMENSION(2) - ::lb_row_col
    - - logical, - intent(in),optional - - ::transposed -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - + logical, intent(in), :: summation -

    the block is transposed -if block exists, then sum the new block to the old one instead of replacing it

    -
    - - integer(kind=int_8), - intent(inout),optional - - ::flop
    - + complex(kind=real_8), intent(in), :: scale -

    scale the OBblock being added

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +171,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the logical row +the logical column
    - + integer, intent(in) :: col - +

    the logical row +the logical column
    - + complex(kind=real_8), intent(in), - DIMENSION(:) + DIMENSION(:), CONTIGUOUS :: block +

    the block to put

    +
    + + integer, + intent(inout),optional, + DIMENSION(2) + ::lb_row_col
    - + + logical, + intent(in),optional + + ::transposed +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + logical, intent(in), :: summation +

    the block is transposed +if block exists, then sum the new block to the old one instead of replacing it

    +
    + + integer(kind=int_8), + intent(inout),optional + + ::flop
    - + complex(kind=real_8), intent(in), :: scale - +

    scale the OBblock being added
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(in)
    - + real(kind=dp), intent(in)
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -170,7 +168,7 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,7 +170,7 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_tas_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -170,7 +168,7 @@

    Arguments

    		:: matrix -

    Matrix into which blocks should be added.

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,7 +170,7 @@

    Arguments

    		:: matrix - +

    Matrix into which blocks should be added.
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_4), :: block -

    the block to reserve; added if not NULL

    +
    - + logical, intent(in), :: transposed -

    the block holds transposed data

    +
    - + logical, intent(out), :: existed -

    block already existed

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_4), :: block - +

    the block to reserve; added if not NULL
    - + logical, intent(in), :: transposed - +

    the block holds transposed data
    :: existed - +

    block already existed
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_8), :: block -

    the block to reserve; added if not NULL

    +
    - + logical, intent(in), :: transposed -

    the block holds transposed data

    +
    - + logical, intent(out), :: existed -

    block already existed

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_8), :: block - +

    the block to reserve; added if not NULL
    - + logical, intent(in), :: transposed - +

    the block holds transposed data
    :: existed - +

    block already existed
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + real(kind=real_4), :: block -

    the block to reserve; added if not NULL

    +
    - + logical, intent(in), :: transposed -

    the block holds transposed data

    +
    - + logical, intent(out), :: existed -

    block already existed

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + real(kind=real_4), :: block - +

    the block to reserve; added if not NULL
    - + logical, intent(in), :: transposed - +

    the block holds transposed data
    :: existed - +

    block already existed
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,12 +168,12 @@

    Arguments

    		:: matrix -

    DBCSR matrix

    +
    - + integer, intent(in) :: row -

    the row -the column

    +
    - + integer, intent(in) :: col -

    the row -the column

    +
    - + complex(kind=real_8), :: block -

    the block to reserve; added if not NULL

    +
    - + logical, intent(in), :: transposed -

    the block holds transposed data

    +
    - + logical, intent(out), :: existed -

    block already existed

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +169,12 @@

    Arguments

    		:: matrix - +

    DBCSR matrix
    - + integer, intent(in) :: row - +

    the row +the column
    - + integer, intent(in) :: col - +

    the row +the column
    - + complex(kind=real_8), :: block - +

    the block to reserve; added if not NULL
    - + logical, intent(in), :: transposed - +

    the block holds transposed data
    :: existed - +

    block already existed
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -178,12 +168,12 @@

    Arguments

    		:: matrix -

    Matrix into which blocks should be added.

    +
    - + integer, intent(in), :: rows -

    Rows of the blocks to add -Columns of the blocks to add

    +
    - + integer, intent(in), ::columnscols -

    Rows of the blocks to add -Columns of the blocks to add

    +
    :: blk_pointers -

    block pointers to use for new blocks

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,12 +178,12 @@

    Arguments

    		:: matrix - +

    Matrix into which blocks should be added.
    - + integer, intent(in), :: rows - +

    Rows of the blocks to add +Columns of the blocks to add
    - + integer, intent(in), ::colscolumns - +

    Rows of the blocks to add +Columns of the blocks to add
    :: blk_pointers - +

    block pointers to use for new blocks
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,7 +168,7 @@

    Arguments

    		:: matrix -

    Matrix into which blocks should be added.

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    Matrix into which blocks should be added.
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_imagedistribution_obj), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + type(mp_win_type), intent(in)
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(mp_request_type), intent(out)
    - + type(mp_type_descriptor_type), intent(in),
    - + type(mp_type_descriptor_type), intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(mp_comm_type), intent(in)
    - + integer, intent(in)
    - + integer,
    - + integer,
    - + integer,
    - + real(kind=dp), intent(in)
    - + real(kind=dp), intent(in)
    - + integer, intent(in)
    - + real(kind=dp), intent(in)
    - + logical, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer,
    - + integer,
    - + integer,
    - + real(kind=dp), intent(in)
    - + real(kind=dp), intent(in)
    - + integer, intent(in)
    - + real(kind=dp), intent(in)
    - + logical, intent(in)
    - + type(dbcsr_scalar_type), intent(in)
    - + complex(kind=real_4), intent(in)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_scalar_type), intent(inout)
    - + type(dbcsr_scalar_type), intent(in)
    - + complex(kind=real_4), intent(out)
    - + real(kind=real_8), intent(out)
    - + real(kind=real_4), intent(out)
    - + complex(kind=real_8), intent(out)
    - + type(dbcsr_scalar_type), intent(in)
    - + integer, intent(in)
    - + real(kind=real_4), intent(in)
    - + type(dbcsr_scalar_type), intent(inout)
    - + integer, intent(in)
    - + complex(kind=real_8), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_scalar_type), intent(in)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_data_obj), intent(in),
    - + character(len=*), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -179,7 +178,7 @@

    Arguments

    		 intent(in), - DIMENSION(:), TARGET, CONTIGUOUS + DIMENSION(:), TARGET :: alpha
    - + character(len=*), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,12 +174,12 @@

    Arguments

    - + complex(kind=real_4), intent(in), - DIMENSION(:), TARGET + DIMENSION(:), TARGET, CONTIGUOUS :: alpha
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -179,7 +178,7 @@

    Arguments

    		 intent(in), - DIMENSION(:), TARGET, CONTIGUOUS + DIMENSION(:), TARGET :: alpha
    - + character(len=*), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,12 +174,12 @@

    Arguments

    - + real(kind=real_8), intent(in), - DIMENSION(:), TARGET + DIMENSION(:), TARGET, CONTIGUOUS :: alpha
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -179,7 +178,7 @@

    Arguments

    		 intent(in), - DIMENSION(:), TARGET, CONTIGUOUS + DIMENSION(:), TARGET :: alpha
    - + character(len=*), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,12 +174,12 @@

    Arguments

    - + real(kind=real_4), intent(in), - DIMENSION(:), TARGET + DIMENSION(:), TARGET, CONTIGUOUS :: alpha
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -179,7 +178,7 @@

    Arguments

    		 intent(in), - DIMENSION(:), TARGET, CONTIGUOUS + DIMENSION(:), TARGET :: alpha
    - + character(len=*), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,12 +174,12 @@

    Arguments

    - + complex(kind=real_8), intent(in), - DIMENSION(:), TARGET + DIMENSION(:), TARGET, CONTIGUOUS :: alpha
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -189,7 +188,7 @@

    Arguments

    - + integer, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,7 +174,7 @@

    Arguments

    - + complex(kind=real_4), intent(in)
    - + integer, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -174,7 +173,7 @@

    Arguments

    - + real(kind=real_8), intent(in)
    - + integer, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,7 +174,7 @@

    Arguments

    - + real(kind=real_8), intent(in)
    - + integer, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -174,7 +173,7 @@

    Arguments

    - + real(kind=real_4), intent(in)
    - + integer, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,7 +174,7 @@

    Arguments

    - + real(kind=real_4), intent(in)
    - + integer, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -174,7 +173,7 @@

    Arguments

    - + complex(kind=real_8), intent(in)
    - + integer, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,7 +174,7 @@

    Arguments

    - + complex(kind=real_8), intent(in)
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -205,35 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_c (matrix, alpha)
-      !! Interface for dbcsr_set
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+         TYPE(dbcsr_type), INTENT(INOUT)       :: matrix
          COMPLEX(kind=real_4), INTENT(IN)                      :: alpha
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set'
-
-         INTEGER                                            :: col, handle, row
-         TYPE(dbcsr_iterator)                               :: iter
-         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER                   :: block
-         LOGICAL                                            :: tr
-
-         CALL timeset(routineN, handle)
-
-         IF (alpha == CMPLX(0.0, 0.0, real_4)) THEN
-            CALL dbcsr_zero(matrix)
-         ELSE
-            IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_4) &
-               DBCSR_ABORT("Incompatible data types")
-
-            !TODO: could be speedup by direct assignment to data_area, similar to dbcsr_zero()
-            CALL dbcsr_iterator_start(iter, matrix)
-            DO WHILE (dbcsr_iterator_blocks_left(iter))
-               CALL dbcsr_iterator_next_block(iter, row, col, block, tr)
-               block(:, :) = alpha
-            END DO
-            CALL dbcsr_iterator_stop(iter)
-         END IF
-
-         CALL timestop(handle)
+         CALL dbcsr_set_prv(matrix%prv, alpha)
       END SUBROUTINE dbcsr_set_c
    diff --git a/develop/proc/dbcsr_set_config.html b/develop/proc/dbcsr_set_config.html index 4a5d283219a..014ab6f2d01 100644 --- a/develop/proc/dbcsr_set_config.html +++ b/develop/proc/dbcsr_set_config.html @@ -74,7 +74,7 @@

    dbcsr_set_config
  • 69 statements + title=" 0.1% of total for procedures.">65 statements
  • @@ -263,7 +263,7 @@

    Arguments

    • - + integer, intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,7 +174,7 @@

    Arguments

    - + complex(kind=real_4), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -205,35 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_d (matrix, alpha)
-      !! Interface for dbcsr_set
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+         TYPE(dbcsr_type), INTENT(INOUT)       :: matrix
          REAL(kind=real_8), INTENT(IN)                      :: alpha
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set'
-
-         INTEGER                                            :: col, handle, row
-         TYPE(dbcsr_iterator)                               :: iter
-         REAL(kind=real_8), DIMENSION(:, :), POINTER                   :: block
-         LOGICAL                                            :: tr
-
-         CALL timeset(routineN, handle)
-
-         IF (alpha == 0.0_real_8) THEN
-            CALL dbcsr_zero(matrix)
-         ELSE
-            IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_8) &
-               DBCSR_ABORT("Incompatible data types")
-
-            !TODO: could be speedup by direct assignment to data_area, similar to dbcsr_zero()
-            CALL dbcsr_iterator_start(iter, matrix)
-            DO WHILE (dbcsr_iterator_blocks_left(iter))
-               CALL dbcsr_iterator_next_block(iter, row, col, block, tr)
-               block(:, :) = alpha
-            END DO
-            CALL dbcsr_iterator_stop(iter)
-         END IF
-
-         CALL timestop(handle)
+         CALL dbcsr_set_prv(matrix%prv, alpha)
       END SUBROUTINE dbcsr_set_d
    diff --git a/develop/proc/dbcsr_set_diag_c.html b/develop/proc/dbcsr_set_diag_c.html index 51a2cc5f008..71516fed599 100644 --- a/develop/proc/dbcsr_set_diag_c.html +++ b/develop/proc/dbcsr_set_diag_c.html @@ -74,20 +74,20 @@

    dbcsr_set_diag_c
  • 24 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -204,42 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_diag_c (matrix, diag)
-         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix
-         COMPLEX(kind=real_4), DIMENSION(:), INTENT(IN)          :: diag
+         TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
+         COMPLEX(kind=real_4), DIMENSION(:), INTENT(IN)                  :: diag
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set_diag'
-
-         INTEGER                                            :: icol, irow, row_offset, handle, i
-         LOGICAL                                            :: tr
-         TYPE(dbcsr_iterator)                               :: iter
-         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_4) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
-            DBCSR_ABORT("Diagonal has wrong size")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         CALL dbcsr_iterator_start(iter, matrix)
-         DO WHILE (dbcsr_iterator_blocks_left(iter))
-            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
-            IF (irow /= icol) CYCLE
-
-            IF (sIZE(block, 1) /= sIZE(block, 2)) &
-               DBCSR_ABORT("Diagonal block non-squared")
-
-            DO i = 1, sIZE(block, 1)
-               block(i, i) = diag(row_offset + i - 1)
-            END DO
-         END DO
-         CALL dbcsr_iterator_stop(iter)
-
-         CALL timestop(handle)
+         CALL dbcsr_set_diag_prv(matrix%prv, diag)
       END SUBROUTINE dbcsr_set_diag_c
    diff --git a/develop/proc/dbcsr_set_diag_c~2.html b/develop/proc/dbcsr_set_diag_c~2.html index 1afdae870f8..8bd61ff8bee 100644 --- a/develop/proc/dbcsr_set_diag_c~2.html +++ b/develop/proc/dbcsr_set_diag_c~2.html @@ -74,20 +74,20 @@

    dbcsr_set_diag_c
  • 5 statements + title=" 0.0% of total for procedures.">24 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -204,10 +204,42 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_diag_c (matrix, diag)
-         TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         COMPLEX(kind=real_4), DIMENSION(:), INTENT(IN)                  :: diag
+         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix
+         COMPLEX(kind=real_4), DIMENSION(:), INTENT(IN)          :: diag
 
-         CALL dbcsr_set_diag_prv(matrix%prv, diag)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set_diag'
+
+         INTEGER                                            :: icol, irow, row_offset, handle, i
+         LOGICAL                                            :: tr
+         TYPE(dbcsr_iterator)                               :: iter
+         COMPLEX(kind=real_4), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_4) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
+            DBCSR_ABORT("Diagonal has wrong size")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         CALL dbcsr_iterator_start(iter, matrix)
+         DO WHILE (dbcsr_iterator_blocks_left(iter))
+            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
+            IF (irow /= icol) CYCLE
+
+            IF (sIZE(block, 1) /= sIZE(block, 2)) &
+               DBCSR_ABORT("Diagonal block non-squared")
+
+            DO i = 1, sIZE(block, 1)
+               block(i, i) = diag(row_offset + i - 1)
+            END DO
+         END DO
+         CALL dbcsr_iterator_stop(iter)
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_set_diag_c
    diff --git a/develop/proc/dbcsr_set_diag_d.html b/develop/proc/dbcsr_set_diag_d.html index 207e9a7c4ad..c92375cd3eb 100644 --- a/develop/proc/dbcsr_set_diag_d.html +++ b/develop/proc/dbcsr_set_diag_d.html @@ -74,20 +74,20 @@

    dbcsr_set_diag_d
  • 24 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -204,42 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_diag_d (matrix, diag)
-         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix
-         REAL(kind=real_8), DIMENSION(:), INTENT(IN)          :: diag
+         TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
+         REAL(kind=real_8), DIMENSION(:), INTENT(IN)                  :: diag
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set_diag'
-
-         INTEGER                                            :: icol, irow, row_offset, handle, i
-         LOGICAL                                            :: tr
-         TYPE(dbcsr_iterator)                               :: iter
-         REAL(kind=real_8), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_8) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
-            DBCSR_ABORT("Diagonal has wrong size")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         CALL dbcsr_iterator_start(iter, matrix)
-         DO WHILE (dbcsr_iterator_blocks_left(iter))
-            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
-            IF (irow /= icol) CYCLE
-
-            IF (sIZE(block, 1) /= sIZE(block, 2)) &
-               DBCSR_ABORT("Diagonal block non-squared")
-
-            DO i = 1, sIZE(block, 1)
-               block(i, i) = diag(row_offset + i - 1)
-            END DO
-         END DO
-         CALL dbcsr_iterator_stop(iter)
-
-         CALL timestop(handle)
+         CALL dbcsr_set_diag_prv(matrix%prv, diag)
       END SUBROUTINE dbcsr_set_diag_d
    diff --git a/develop/proc/dbcsr_set_diag_d~2.html b/develop/proc/dbcsr_set_diag_d~2.html index 623d2bc5194..bdba142be9f 100644 --- a/develop/proc/dbcsr_set_diag_d~2.html +++ b/develop/proc/dbcsr_set_diag_d~2.html @@ -74,20 +74,20 @@

    dbcsr_set_diag_d
  • 5 statements + title=" 0.0% of total for procedures.">24 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -204,10 +204,42 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_diag_d (matrix, diag)
-         TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         REAL(kind=real_8), DIMENSION(:), INTENT(IN)                  :: diag
+         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix
+         REAL(kind=real_8), DIMENSION(:), INTENT(IN)          :: diag
 
-         CALL dbcsr_set_diag_prv(matrix%prv, diag)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set_diag'
+
+         INTEGER                                            :: icol, irow, row_offset, handle, i
+         LOGICAL                                            :: tr
+         TYPE(dbcsr_iterator)                               :: iter
+         REAL(kind=real_8), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_8) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
+            DBCSR_ABORT("Diagonal has wrong size")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         CALL dbcsr_iterator_start(iter, matrix)
+         DO WHILE (dbcsr_iterator_blocks_left(iter))
+            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
+            IF (irow /= icol) CYCLE
+
+            IF (sIZE(block, 1) /= sIZE(block, 2)) &
+               DBCSR_ABORT("Diagonal block non-squared")
+
+            DO i = 1, sIZE(block, 1)
+               block(i, i) = diag(row_offset + i - 1)
+            END DO
+         END DO
+         CALL dbcsr_iterator_stop(iter)
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_set_diag_d
    diff --git a/develop/proc/dbcsr_set_diag_s.html b/develop/proc/dbcsr_set_diag_s.html index 3f7c546cc31..1937a05b0f2 100644 --- a/develop/proc/dbcsr_set_diag_s.html +++ b/develop/proc/dbcsr_set_diag_s.html @@ -74,20 +74,20 @@

    dbcsr_set_diag_s
  • 24 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -204,42 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_diag_s (matrix, diag)
-         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix
-         REAL(kind=real_4), DIMENSION(:), INTENT(IN)          :: diag
+         TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
+         REAL(kind=real_4), DIMENSION(:), INTENT(IN)                  :: diag
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set_diag'
-
-         INTEGER                                            :: icol, irow, row_offset, handle, i
-         LOGICAL                                            :: tr
-         TYPE(dbcsr_iterator)                               :: iter
-         REAL(kind=real_4), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_4) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
-            DBCSR_ABORT("Diagonal has wrong size")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         CALL dbcsr_iterator_start(iter, matrix)
-         DO WHILE (dbcsr_iterator_blocks_left(iter))
-            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
-            IF (irow /= icol) CYCLE
-
-            IF (sIZE(block, 1) /= sIZE(block, 2)) &
-               DBCSR_ABORT("Diagonal block non-squared")
-
-            DO i = 1, sIZE(block, 1)
-               block(i, i) = diag(row_offset + i - 1)
-            END DO
-         END DO
-         CALL dbcsr_iterator_stop(iter)
-
-         CALL timestop(handle)
+         CALL dbcsr_set_diag_prv(matrix%prv, diag)
       END SUBROUTINE dbcsr_set_diag_s
    diff --git a/develop/proc/dbcsr_set_diag_s~2.html b/develop/proc/dbcsr_set_diag_s~2.html index cef8f92fb70..309ed0cc230 100644 --- a/develop/proc/dbcsr_set_diag_s~2.html +++ b/develop/proc/dbcsr_set_diag_s~2.html @@ -74,20 +74,20 @@

    dbcsr_set_diag_s
  • 5 statements + title=" 0.0% of total for procedures.">24 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -204,10 +204,42 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_diag_s (matrix, diag)
-         TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         REAL(kind=real_4), DIMENSION(:), INTENT(IN)                  :: diag
+         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix
+         REAL(kind=real_4), DIMENSION(:), INTENT(IN)          :: diag
 
-         CALL dbcsr_set_diag_prv(matrix%prv, diag)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set_diag'
+
+         INTEGER                                            :: icol, irow, row_offset, handle, i
+         LOGICAL                                            :: tr
+         TYPE(dbcsr_iterator)                               :: iter
+         REAL(kind=real_4), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_4) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
+            DBCSR_ABORT("Diagonal has wrong size")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         CALL dbcsr_iterator_start(iter, matrix)
+         DO WHILE (dbcsr_iterator_blocks_left(iter))
+            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
+            IF (irow /= icol) CYCLE
+
+            IF (sIZE(block, 1) /= sIZE(block, 2)) &
+               DBCSR_ABORT("Diagonal block non-squared")
+
+            DO i = 1, sIZE(block, 1)
+               block(i, i) = diag(row_offset + i - 1)
+            END DO
+         END DO
+         CALL dbcsr_iterator_stop(iter)
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_set_diag_s
    diff --git a/develop/proc/dbcsr_set_diag_z.html b/develop/proc/dbcsr_set_diag_z.html index 8c54f884870..28c9a410e1b 100644 --- a/develop/proc/dbcsr_set_diag_z.html +++ b/develop/proc/dbcsr_set_diag_z.html @@ -74,20 +74,20 @@

    dbcsr_set_diag_z
  • 24 statements + title=" 0.0% of total for procedures.">5 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -204,42 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_diag_z (matrix, diag)
-         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix
-         COMPLEX(kind=real_8), DIMENSION(:), INTENT(IN)          :: diag
+         TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
+         COMPLEX(kind=real_8), DIMENSION(:), INTENT(IN)                  :: diag
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set_diag'
-
-         INTEGER                                            :: icol, irow, row_offset, handle, i
-         LOGICAL                                            :: tr
-         TYPE(dbcsr_iterator)                               :: iter
-         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER                   :: block
-
-         CALL timeset(routineN, handle)
-
-         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_8) &
-            DBCSR_ABORT("Incompatible data types")
-
-         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
-            DBCSR_ABORT("Diagonal has wrong size")
-
-         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
-            DBCSR_ABORT("matrix not quadratic")
-
-         CALL dbcsr_iterator_start(iter, matrix)
-         DO WHILE (dbcsr_iterator_blocks_left(iter))
-            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
-            IF (irow /= icol) CYCLE
-
-            IF (sIZE(block, 1) /= sIZE(block, 2)) &
-               DBCSR_ABORT("Diagonal block non-squared")
-
-            DO i = 1, sIZE(block, 1)
-               block(i, i) = diag(row_offset + i - 1)
-            END DO
-         END DO
-         CALL dbcsr_iterator_stop(iter)
-
-         CALL timestop(handle)
+         CALL dbcsr_set_diag_prv(matrix%prv, diag)
       END SUBROUTINE dbcsr_set_diag_z
    diff --git a/develop/proc/dbcsr_set_diag_z~2.html b/develop/proc/dbcsr_set_diag_z~2.html index e2da6209f71..37b2cba4e0b 100644 --- a/develop/proc/dbcsr_set_diag_z~2.html +++ b/develop/proc/dbcsr_set_diag_z~2.html @@ -74,20 +74,20 @@

    dbcsr_set_diag_z
  • 5 statements + title=" 0.0% of total for procedures.">24 statements
  • - Source File + Source File
    • @@ -158,8 +158,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -204,10 +204,42 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_diag_z (matrix, diag)
-         TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
-         COMPLEX(kind=real_8), DIMENSION(:), INTENT(IN)                  :: diag
+         TYPE(dbcsr_type), INTENT(INOUT)            :: matrix
+         COMPLEX(kind=real_8), DIMENSION(:), INTENT(IN)          :: diag
 
-         CALL dbcsr_set_diag_prv(matrix%prv, diag)
+         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set_diag'
+
+         INTEGER                                            :: icol, irow, row_offset, handle, i
+         LOGICAL                                            :: tr
+         TYPE(dbcsr_iterator)                               :: iter
+         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER                   :: block
+
+         CALL timeset(routineN, handle)
+
+         IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_8) &
+            DBCSR_ABORT("Incompatible data types")
+
+         IF (dbcsr_nfullrows_total(matrix) /= SIZE(diag)) &
+            DBCSR_ABORT("Diagonal has wrong size")
+
+         IF (.NOT. array_equality(matrix%row_blk_offset, matrix%col_blk_offset)) &
+            DBCSR_ABORT("matrix not quadratic")
+
+         CALL dbcsr_iterator_start(iter, matrix)
+         DO WHILE (dbcsr_iterator_blocks_left(iter))
+            CALL dbcsr_iterator_next_block(iter, irow, icol, block, tr, row_offset=row_offset)
+            IF (irow /= icol) CYCLE
+
+            IF (sIZE(block, 1) /= sIZE(block, 2)) &
+               DBCSR_ABORT("Diagonal block non-squared")
+
+            DO i = 1, sIZE(block, 1)
+               block(i, i) = diag(row_offset + i - 1)
+            END DO
+         END DO
+         CALL dbcsr_iterator_stop(iter)
+
+         CALL timestop(handle)
       END SUBROUTINE dbcsr_set_diag_z
    diff --git a/develop/proc/dbcsr_set_d~2.html b/develop/proc/dbcsr_set_d~2.html index 64c0647ab8c..7e4558c03e5 100644 --- a/develop/proc/dbcsr_set_d~2.html +++ b/develop/proc/dbcsr_set_d~2.html @@ -74,20 +74,20 @@

    dbcsr_set_d
  • 5 statements + title=" 0.0% of total for procedures.">22 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_set_d(matrix, alpha)

    +

    Interface for dbcsr_set

    Arguments

    @@ -158,8 +159,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,7 +174,7 @@

    Arguments

    - + real(kind=real_8), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -205,35 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_s (matrix, alpha)
-      !! Interface for dbcsr_set
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+         TYPE(dbcsr_type), INTENT(INOUT)       :: matrix
          REAL(kind=real_4), INTENT(IN)                      :: alpha
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set'
-
-         INTEGER                                            :: col, handle, row
-         TYPE(dbcsr_iterator)                               :: iter
-         REAL(kind=real_4), DIMENSION(:, :), POINTER                   :: block
-         LOGICAL                                            :: tr
-
-         CALL timeset(routineN, handle)
-
-         IF (alpha == 0.0_real_4) THEN
-            CALL dbcsr_zero(matrix)
-         ELSE
-            IF (dbcsr_get_data_type(matrix) /= dbcsr_type_real_4) &
-               DBCSR_ABORT("Incompatible data types")
-
-            !TODO: could be speedup by direct assignment to data_area, similar to dbcsr_zero()
-            CALL dbcsr_iterator_start(iter, matrix)
-            DO WHILE (dbcsr_iterator_blocks_left(iter))
-               CALL dbcsr_iterator_next_block(iter, row, col, block, tr)
-               block(:, :) = alpha
-            END DO
-            CALL dbcsr_iterator_stop(iter)
-         END IF
-
-         CALL timestop(handle)
+         CALL dbcsr_set_prv(matrix%prv, alpha)
       END SUBROUTINE dbcsr_set_s
    diff --git a/develop/proc/dbcsr_set_s~2.html b/develop/proc/dbcsr_set_s~2.html index 497f83d59f9..35b49ef7ecd 100644 --- a/develop/proc/dbcsr_set_s~2.html +++ b/develop/proc/dbcsr_set_s~2.html @@ -74,20 +74,20 @@

    dbcsr_set_s
  • 5 statements + title=" 0.0% of total for procedures.">22 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_set_s(matrix, alpha)

    +

    Interface for dbcsr_set

    Arguments

    @@ -158,8 +159,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,7 +174,7 @@

    Arguments

    - + real(kind=real_4), intent(in)
    - + type(dbcsr_type), intent(inout)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -205,35 +204,10 @@

    Arguments

    Source Code

          SUBROUTINE dbcsr_set_z (matrix, alpha)
-      !! Interface for dbcsr_set
-         TYPE(dbcsr_type), INTENT(INOUT)           :: matrix
+         TYPE(dbcsr_type), INTENT(INOUT)       :: matrix
          COMPLEX(kind=real_8), INTENT(IN)                      :: alpha
 
-         CHARACTER(len=*), PARAMETER :: routineN = 'dbcsr_set'
-
-         INTEGER                                            :: col, handle, row
-         TYPE(dbcsr_iterator)                               :: iter
-         COMPLEX(kind=real_8), DIMENSION(:, :), POINTER                   :: block
-         LOGICAL                                            :: tr
-
-         CALL timeset(routineN, handle)
-
-         IF (alpha == CMPLX(0.0, 0.0, real_8)) THEN
-            CALL dbcsr_zero(matrix)
-         ELSE
-            IF (dbcsr_get_data_type(matrix) /= dbcsr_type_complex_8) &
-               DBCSR_ABORT("Incompatible data types")
-
-            !TODO: could be speedup by direct assignment to data_area, similar to dbcsr_zero()
-            CALL dbcsr_iterator_start(iter, matrix)
-            DO WHILE (dbcsr_iterator_blocks_left(iter))
-               CALL dbcsr_iterator_next_block(iter, row, col, block, tr)
-               block(:, :) = alpha
-            END DO
-            CALL dbcsr_iterator_stop(iter)
-         END IF
-
-         CALL timestop(handle)
+         CALL dbcsr_set_prv(matrix%prv, alpha)
       END SUBROUTINE dbcsr_set_z
    diff --git a/develop/proc/dbcsr_set_z~2.html b/develop/proc/dbcsr_set_z~2.html index f43f88b280d..1a328d065f0 100644 --- a/develop/proc/dbcsr_set_z~2.html +++ b/develop/proc/dbcsr_set_z~2.html @@ -74,20 +74,20 @@

    dbcsr_set_z
  • 5 statements + title=" 0.0% of total for procedures.">22 statements
  • - Source File + Source File
    • @@ -143,6 +143,7 @@

    private subroutine dbcsr_set_z(matrix, alpha)

    +

    Interface for dbcsr_set

    Arguments

    @@ -158,8 +159,8 @@

    Arguments
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,7 +174,7 @@

    Arguments

    - + complex(kind=real_8), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -173,7 +173,7 @@

    Arguments

    - + character(len=*), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -207,7 +207,7 @@

    Source Code

    TYPE(dbcsr_type), INTENT(INOUT) :: matrix CHARACTER(len=*), INTENT(IN) :: newname - CALL dbcsr_setname_prv(matrix%prv, newname) + matrix%name = newname END SUBROUTINE dbcsr_setname diff --git a/develop/proc/dbcsr_sort_data.html b/develop/proc/dbcsr_sort_data.html index 7e1d46ec100..32e007380ff 100644 --- a/develop/proc/dbcsr_sort_data.html +++ b/develop/proc/dbcsr_sort_data.html @@ -160,7 +160,7 @@

    Arguments
    - + integer, intent(inout),
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + type(dbcsr_type), intent(inout)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -169,7 +168,7 @@

    Arguments

    		:: matrix -

    dbcsr matrix to operate on

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    dbcsr matrix to operate on
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_data_obj), intent(in)
    - + type(dbcsr_t_type), intent(inout)
    - + type(dbcsr_t_type), intent(out)
    - + integer, intent(out),
    - + integer, intent(in),
    - + complex(kind=real_8), intent(out),
    - + integer, intent(in),
    - + complex(kind=real_4), intent(out),
    - + integer, intent(in),
    - + real(kind=real_8), intent(out),
    - + integer, intent(in),
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    - + integer, intent(in),
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    - + type(dbcsr_t_type), intent(inout)
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    - + type(dbcsr_t_pgrid_type), intent(in)
    - + logical, intent(in),
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    - + type(mp_comm_type), intent(in)
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    - + type(mp_comm_type), intent(in)
    - + class(dbcsr_tas_distribution), intent(in)
    - + class(dbcsr_tas_distribution), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + integer(kind=int_8), intent(out),
    - + integer(kind=int_8), intent(out),
    - + integer(kind=int_8), intent(out),
    - + integer(kind=int_8), intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer(kind=int_8),
    - + integer(kind=int_8),
    - + class(dbcsr_tas_distribution), intent(out),
    - + class(dbcsr_tas_distribution), intent(out),
    - + class(dbcsr_tas_rowcol_data), intent(out),
    - + class(dbcsr_tas_rowcol_data), intent(out),
    - + character(len=*), intent(out),
    - + type(dbcsr_data_obj), intent(out),
    - + character(len=1),
    - + integer,
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_split_info), intent(in)
    - + type(mp_comm_type), intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(mp_comm_type), intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_type), intent(in)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + integer, intent(out)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_iterator), intent(in)
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + type(dbcsr_data_obj), intent(inout)
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + complex(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + complex(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + integer, intent(out)
    - + logical, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + real(kind=real_8),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_iterator), intent(inout)
    - + integer(kind=int_8), intent(out)
    - + integer(kind=int_8), intent(out)
    - + real(kind=real_4),
    - + logical, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(out),
    - + type(dbcsr_tas_iterator), intent(inout)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_iterator), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + logical, intent(in),
    - + type(mp_comm_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(mp_comm_type), intent(in)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + type(dbcsr_scalar_type), intent(in)
    - + type(dbcsr_tas_type), intent(inout),
    - + type(dbcsr_tas_type), intent(inout),
    - + type(dbcsr_scalar_type), intent(in)
    - + type(dbcsr_tas_type), intent(inout),
    - + real(kind=real_8), intent(in),
    - + integer(kind=int_8), intent(out),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + type(dbcsr_data_obj)
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_scalar_type), intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + complex(kind=real_8), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + complex(kind=real_8), intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + complex(kind=real_4), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + complex(kind=real_4), intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + real(kind=real_8), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + real(kind=real_8), intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + real(kind=real_4), intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in),
    - + integer, intent(out),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_tas_split_info), intent(in)
    - + type(dbcsr_tas_type), intent(out)
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer(kind=int_8), intent(in),
    - + integer(kind=int_8), intent(in),
    - + type(dbcsr_tas_type), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + logical, intent(in),
    - + logical, intent(in),
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + type(dbcsr_tas_type), intent(inout),
    - + type(dbcsr_tas_type), intent(inout),
    - + type(dbcsr_tas_type), intent(inout),
    - + real(kind=real_8), intent(in),
    - + integer(kind=int_8), intent(out),
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + complex(kind=real_8), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + complex(kind=real_4), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + real(kind=real_4), intent(in)
    - + type(dbcsr_tas_split_info), intent(inout)
    - + type(dbcsr_tas_type), intent(out)
    - + type(mp_comm_type), intent(in)
    - + integer(kind=int_8), intent(in)
    - + integer(kind=int_8), intent(in)
    - + character(len=*), intent(in)
    - + real(kind=real_8), intent(in)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + character(len=1), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + type(dbcsr_tas_type), intent(inout)
    - + real(kind=real_8), intent(in),
    - + integer, intent(in)
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + type(dbcsr_tas_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + type(dbcsr_tas_split_info), intent(in)
    - + integer, intent(in)
    - + character(len=*), intent(in),
    - + type(dbcsr_mp_obj), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8), intent(in)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(out)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_data_obj), intent(inout)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,22 +168,22 @@

    Arguments

    		:: matrix_a -

    DBCSR matrix

    +
    - + complex(kind=real_4), intent(inout)intent(out) :: trace -

    the trace of the matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,22 +169,22 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrix
    - + complex(kind=real_4), intent(out)intent(inout) :: trace - +

    the trace of the matrix
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,22 +168,22 @@

    Arguments

    		:: matrix_a -

    DBCSR matrix

    +
    - + real(kind=real_8), intent(inout)intent(out) :: trace -

    the trace of the matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,22 +169,22 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrix
    - + real(kind=real_8), intent(out)intent(inout) :: trace - +

    the trace of the matrix
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,22 +168,22 @@

    Arguments

    		:: matrix_a -

    DBCSR matrix

    +
    - + real(kind=real_4), intent(inout)intent(out) :: trace -

    the trace of the matrix

    +
    - + type(dbcsr_type), intent(in)
    - + real(kind=real_8), intent(inout)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,22 +169,22 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrix
    - + real(kind=real_4), intent(out)intent(inout) :: trace - +

    the trace of the matrix
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,22 +168,22 @@

    Arguments

    		:: matrix_a -

    DBCSR matrix

    +
    - + complex(kind=real_8), intent(inout)intent(out) :: trace -

    the trace of the matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,22 +169,22 @@

    Arguments

    		:: matrix_a - +

    DBCSR matrix
    - + complex(kind=real_8), intent(out)intent(inout) :: trace - +

    the trace of the matrix
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + type(dbcsr_distribution_type), intent(in),
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) ::matrix_amatrix -

    the matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(inout) ::matrixmatrix_a - +

    the matrix
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in)
    - + logical, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in)
    - + logical, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in)
    - + logical, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + logical, intent(in)
    - + logical, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(in)
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -169,7 +168,7 @@

    Arguments

    		:: matrix -

    verify index validity of this matrix

    +
    - - type(dbcsr_type), + + type(dbcsr_type), intent(in) @@ -168,7 +169,7 @@

    Arguments

    		:: matrix - +

    verify index validity of this matrix
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + logical, intent(in),
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + type(dbcsr_data_obj), intent(in)
    - + type(mp_comm_type), intent(in)
    - + type(mp_win_type), intent(out)
    - + type(dbcsr_work_type), intent(in)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + type(dbcsr_work_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(inout)
    - + character(len=*), intent(in)
    - + type(block_nd), intent(inout)
    - + type(block_nd_c_dp), intent(inout)
    - + type(block_nd_c_sp), intent(inout)
    - + type(block_nd_r_dp), intent(inout)
    - + type(block_nd_r_sp), intent(inout)
    - + type(nd_to_2d_mapping), intent(inout)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + complex(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + integer(kind=int_8),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_4),
    - + type(acc_stream_type), intent(in)
    - + type(acc_devmem_type), intent(in)
    - + real(kind=real_8),
    - + type(acc_stream_type), intent(in)
    - + integer(kind=int_4),
    - + integer(kind=int_4),
    - + integer, intent(in),
    - + integer(kind=int_4), intent(in),
    - + type(call_stat_type), intent(in),
    - + character(len=default_string_length)
    - + character(len=default_string_length)
    - + integer, intent(in),
    - + character(len=default_string_length), intent(in)
    - + integer(kind=int_4), intent(in)
    - + type(dbcsr_t_type), intent(in)
    - + integer, intent(out),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(out),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(out),
    - + type(dbcsr_t_type), intent(inout)
    - + real(kind=real_8), intent(out),
    - + integer, intent(in)
    - + integer, intent(out),
    - + complex(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + real(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + integer(kind=int_4),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + integer(kind=int_8),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + real(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + complex(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=dp), intent(in),
    - + logical, intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + type(dbcsr_mm_sched_type), intent(inout)
    - + integer,
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(C_PTR), intent(in)
    - + integer(kind=C_INT), intent(out)
    - + integer(kind=C_INT), intent(in)
    - + integer, intent(in)
    - + character(len=*), intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(array_i1d_obj), intent(inout),
    - + integer, intent(in)
    - + integer, intent(out)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(inout)
    - + integer, intent(in),
    - + integer, intent(inout)
    - + integer, intent(inout)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_iterator), intent(inout)
    - + integer, intent(in)
    - + integer, intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_mm_csr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(nd_to_2d_mapping), intent(in)
    - + type(nd_to_2d_mapping), intent(in)
    - + complex(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in),
    - + complex(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in),
    - + complex(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_8),
    - + integer, intent(in),
    - + integer, intent(in),
    - + real(kind=real_4),
    - + integer, intent(in),
    - + integer, intent(in),
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    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(inout)
    - + integer, intent(in)
    - + integer, intent(inout),
    - + integer, intent(in),
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    - + character(len=*), intent(in)
    - + character(len=*), intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in)
    - + character(len=*), intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_mp_obj), intent(in)
    - + class(CONF_PAR), intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + real(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + real(kind=real_4), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + complex(kind=real_8), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + logical, intent(in),
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(inout)
    - + integer, intent(out)
    - + integer, intent(out),
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(out),
    - + integer, intent(in)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_scalar_type), intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(out)
    - + integer, intent(inout),
    - + integer, intent(inout),
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in),
    - + class(dbcsr_tas_dist_repl), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_dist_repl), intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_t_type), intent(inout),
    - + type(dbcsr_t_type), intent(inout),
    - + logical, intent(in),
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer, intent(in),
    - + type(mp_comm_type), intent(in)
    - + type(dbcsr_tas_type), intent(inout)
    - + logical, intent(in)
    - + type(dbcsr_t_type), intent(inout),
    - + type(dbcsr_t_type), intent(out),
    - + logical, intent(in),
    - + logical, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_tas_type), intent(inout)
    - + integer, intent(in)
    - + type(dbcsr_buffer), intent(inout)
    - + character(len=default_string_length), intent(in)
    - + class(CONF_PAR_INT), intent(inout)
    - + class(CONF_PAR_LOGICAL), intent(inout)
    - + class(CONF_PAR_MM_DRIVER), intent(inout)
    - + class(CONF_PAR_REAL), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + complex(kind=real_4),
    - + real(kind=real_8),
    - + real(kind=real_4),
    - + complex(kind=real_8),
    - + complex(kind=real_4),
    - + real(kind=real_8),
    - + real(kind=real_4),
    - + complex(kind=real_8),
    - + integer(kind=int_4), intent(in),
    - + type(call_stat_type), intent(in),
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    - + character(len=default_string_length), intent(in)
    - + integer(kind=int_4), intent(in)
    - + integer(kind=int_8), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + type(dbcsr_data_obj), intent(in),
    - + type(dbcsr_memtype_type), intent(in),
    - + type(dbcsr_type), intent(inout)
    - + type(dbcsr_data_obj), intent(inout)
    - + integer, intent(in),
    - + type(dbcsr_buffer), intent(inout),
    - + integer, intent(in)
    - + type(dbcsr_type), intent(in)
    - + integer, intent(in)
    - + integer, intent(inout),
    - + integer, intent(in)
    - + type(stack_descriptor_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in)
    - + complex(kind=real_4), intent(in),
    - + complex(kind=real_4), intent(in),
    - + complex(kind=real_4), intent(inout),
    - + logical, intent(out)
    - + type(stack_descriptor_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in)
    - + real(kind=real_8), intent(in),
    - + real(kind=real_8), intent(in),
    - + real(kind=real_8), intent(inout),
    - + logical, intent(out)
    - + type(stack_descriptor_type), intent(in)
    - + integer, intent(in),
    - + integer, intent(in)
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    - + real(kind=real_4), intent(in),
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    - + logical, intent(out)
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    - + integer, intent(in)
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    - + complex(kind=real_8), intent(in),
    - + complex(kind=real_8), intent(inout),
    - + logical, intent(out)
    - + type(dbcsr_mm_multrec_type), intent(inout)
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    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + logical,
    - + type(mp_comm_type), intent(in)
    - + integer, intent(in)
    - + character(len=*), intent(in)
    - + integer, intent(out)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(inout),
    - + integer(kind=int_8), intent(inout),
    - + character(len=1), intent(in)
    - + integer, intent(in)
    - + class(dbcsr_tas_blk_size_t), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_dist_t), intent(in)
    - + integer(kind=int_8), intent(in)
    - + class(dbcsr_tas_dist_t), intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type)
    - + integer
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    - + type(dbcsr_type), intent(in)
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    - + character(len=1), intent(in)
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    - + integer, intent(in),
    - + logical, intent(in),
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    - + integer, intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + integer, intent(in),
    - + type(dbcsr_type), intent(in)
    - + character(len=*), intent(in)
    - + integer, intent(out)
    - + character(len=*), intent(in)
    - + integer, intent(out)
    - + integer, intent(in)
    - + integer, intent(in)
    - + character(len=*), intent(in)
    - + type(dbcsr_mp_obj), intent(in)
    - + integer, intent(in)
    - + integer, intent(in)
    - + character(len=13), intent(in)
    - + character(len=default_string_length), intent(in),
    - + type(dbcsr_work_type), intent(inout)
    - + type(dbcsr_work_type), intent(inout)
    - + type(dbcsr_work_type), intent(inout)
    - + type(dbcsr_work_type), intent(inout)
    - + type(dbcsr_tas_split_info), intent(in)
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    - + integer, intent(in)
    - + type(dbcsr_buffer), intent(inout)
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer, intent(out)
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_type) @@ -220,7 +220,7 @@

    Variables

    - + integer, @@ -236,7 +236,7 @@

    Variables

    - + integer, @@ -252,7 +252,7 @@

    Variables

    - + integer @@ -268,7 +268,7 @@

    Variables

    - + integer @@ -284,7 +284,7 @@

    Variables

    - + integer @@ -300,7 +300,7 @@

    Variables

    - + integer @@ -316,7 +316,7 @@

    Variables

    - + integer @@ -332,7 +332,7 @@

    Variables

    - + integer @@ -348,7 +348,7 @@

    Variables

    - + integer, @@ -364,7 +364,7 @@

    Variables

    - + integer, @@ -380,7 +380,7 @@

    Variables

    - + integer, @@ -396,7 +396,7 @@

    Variables

    - + type(dbcsr_distribution_type) @@ -412,7 +412,7 @@

    Variables

    - + logical, @@ -441,7 +441,7 @@

    Variables

    Subroutines

    -

    subroutine random_dist(dist_array, dist_size, nbins) +

    subroutine random_dist(dist_array, dist_size, nbins)

    diff --git a/develop/program/dbcsr_example_2.html b/develop/program/dbcsr_example_2.html index 27aa1b589d4..7224038ccf4 100644 --- a/develop/program/dbcsr_example_2.html +++ b/develop/program/dbcsr_example_2.html @@ -112,30 +112,30 @@

    Variables

    @@ -157,7 +157,7 @@

    Subroutines

    @@ -188,8 +188,8 @@

    Uses

    @@ -214,7 +214,7 @@

    Variables
    - + type(dbcsr_type) @@ -230,7 +230,7 @@

    Variables

    - + integer, @@ -246,7 +246,7 @@

    Variables

    - + integer, @@ -262,7 +262,7 @@

    Variables

    - + integer @@ -278,7 +278,7 @@

    Variables

    - + integer @@ -294,7 +294,7 @@

    Variables

    - + integer @@ -310,7 +310,7 @@

    Variables

    - + integer @@ -326,7 +326,7 @@

    Variables

    - + integer @@ -342,7 +342,7 @@

    Variables

    - + integer @@ -358,7 +358,7 @@

    Variables

    - + integer @@ -374,7 +374,7 @@

    Variables

    - + integer @@ -390,7 +390,7 @@

    Variables

    - + integer @@ -406,7 +406,7 @@

    Variables

    - + integer @@ -422,7 +422,7 @@

    Variables

    - + integer @@ -438,7 +438,7 @@

    Variables

    - + integer @@ -454,7 +454,7 @@

    Variables

    - + integer @@ -470,7 +470,7 @@

    Variables

    - + integer @@ -486,7 +486,7 @@

    Variables

    - + integer @@ -502,7 +502,7 @@

    Variables

    - + integer, @@ -518,7 +518,7 @@

    Variables

    - + integer, @@ -534,7 +534,7 @@

    Variables

    - + integer, @@ -550,7 +550,7 @@

    Variables

    - + type(dbcsr_distribution_type) @@ -566,7 +566,7 @@

    Variables

    - + real(kind=KIND(0.0D0)), @@ -582,7 +582,7 @@

    Variables

    - + logical, @@ -611,7 +611,7 @@

    Variables

    Subroutines

    -

    subroutine random_dist(dist_array, dist_size, nbins) +

    subroutine random_dist(dist_array, dist_size, nbins)

    @@ -630,7 +630,7 @@

    Arguments
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(in)
    - + type(dbcsr_type) @@ -232,7 +232,7 @@

    Variables

    - + type(dbcsr_type) @@ -248,7 +248,7 @@

    Variables

    - + type(dbcsr_type) @@ -296,7 +296,7 @@

    Variables

    - + integer @@ -312,7 +312,7 @@

    Variables

    - + integer @@ -328,7 +328,7 @@

    Variables

    - + integer @@ -344,7 +344,7 @@

    Variables

    - + integer @@ -360,7 +360,7 @@

    Variables

    - + integer @@ -376,7 +376,7 @@

    Variables

    - + integer @@ -392,7 +392,7 @@

    Variables

    - + integer @@ -408,7 +408,7 @@

    Variables

    - + integer @@ -424,7 +424,7 @@

    Variables

    - + integer @@ -440,7 +440,7 @@

    Variables

    - + integer @@ -456,7 +456,7 @@

    Variables

    - + integer @@ -472,7 +472,7 @@

    Variables

    - + integer @@ -488,7 +488,7 @@

    Variables

    - + integer @@ -504,7 +504,7 @@

    Variables

    - + integer @@ -520,7 +520,7 @@

    Variables

    - + integer @@ -536,7 +536,7 @@

    Variables

    - + integer, @@ -552,7 +552,7 @@

    Variables

    - + integer, @@ -568,7 +568,7 @@

    Variables

    - + integer, @@ -584,7 +584,7 @@

    Variables

    - + type(dbcsr_distribution_type) @@ -600,7 +600,7 @@

    Variables

    - + real(kind=KIND(0.0D0)), @@ -616,7 +616,7 @@

    Variables

    - + logical, @@ -645,7 +645,7 @@

    Variables

    Subroutines

    -

    subroutine random_dist(dist_array, dist_size, nbins) +

    subroutine random_dist(dist_array, dist_size, nbins)

    @@ -664,7 +664,7 @@

    Arguments
    - + integer, intent(out),
    - + integer, intent(in)
    - + integer, intent(in)
    - + integer @@ -229,7 +229,7 @@

    Variables

    - + integer @@ -245,7 +245,7 @@

    Variables

    - + integer @@ -261,7 +261,7 @@

    Variables

    - + integer @@ -277,7 +277,7 @@

    Variables

    - + integer @@ -309,7 +309,7 @@

    Variables

    - + integer @@ -325,7 +325,7 @@

    Variables

    - + integer, @@ -341,7 +341,7 @@

    Variables

    - + integer, @@ -357,7 +357,7 @@

    Variables

    - + integer, @@ -373,7 +373,7 @@

    Variables

    - + type(dbcsr_mp_obj) @@ -405,7 +405,7 @@

    Variables

    - + type(mp_comm_type) @@ -421,7 +421,7 @@

    Variables

    - + type(mp_comm_type) @@ -437,7 +437,7 @@

    Variables

    - + character(len=*), diff --git a/develop/program/dbcsr_tas_unittest.html b/develop/program/dbcsr_tas_unittest.html index b7ae86f9b93..643a6c417dc 100644 --- a/develop/program/dbcsr_tas_unittest.html +++ b/develop/program/dbcsr_tas_unittest.html @@ -112,12 +112,12 @@

    Variables

    @@ -177,15 +177,15 @@

    Uses

    @@ -209,7 +209,7 @@

    Variables
    - + integer(kind=int_8), @@ -225,7 +225,7 @@

    Variables

    - + integer(kind=int_8), @@ -241,7 +241,7 @@

    Variables

    - + integer(kind=int_8), @@ -257,7 +257,7 @@

    Variables

    - + type(dbcsr_tas_type) @@ -273,7 +273,7 @@

    Variables

    - + type(dbcsr_tas_type) @@ -289,7 +289,7 @@

    Variables

    - + type(dbcsr_tas_type) @@ -513,7 +513,7 @@

    Variables

    - + integer @@ -529,7 +529,7 @@

    Variables

    - + integer @@ -545,7 +545,7 @@

    Variables

    - + integer @@ -561,7 +561,7 @@

    Variables

    - + type(mp_comm_type) @@ -673,7 +673,7 @@

    Variables

    - + real(kind=real_8), diff --git a/develop/program/dbcsr_tensor_example_1.html b/develop/program/dbcsr_tensor_example_1.html index 66ce6a9c739..66542dc8e31 100644 --- a/develop/program/dbcsr_tensor_example_1.html +++ b/develop/program/dbcsr_tensor_example_1.html @@ -113,10 +113,10 @@

    Variables

    - + real(kind=real64), @@ -367,7 +367,7 @@

    Variables

    - + real(kind=real64) @@ -383,7 +383,7 @@

    Variables

    - + real(kind=real64) @@ -527,7 +527,7 @@

    Variables

    - + integer @@ -543,7 +543,7 @@

    Variables

    - + integer @@ -559,7 +559,7 @@

    Variables

    - + integer @@ -575,7 +575,7 @@

    Variables

    - + integer @@ -607,7 +607,7 @@

    Variables

    - + integer @@ -623,7 +623,7 @@

    Variables

    - + integer @@ -639,7 +639,7 @@

    Variables

    - + integer @@ -655,7 +655,7 @@

    Variables

    - + integer @@ -671,7 +671,7 @@

    Variables

    - + integer @@ -687,7 +687,7 @@

    Variables

    - + integer @@ -703,7 +703,7 @@

    Variables

    - + integer @@ -719,7 +719,7 @@

    Variables

    - + integer @@ -735,7 +735,7 @@

    Variables

    - + integer @@ -751,7 +751,7 @@

    Variables

    - + integer @@ -879,7 +879,7 @@

    Variables

    - + integer @@ -1151,7 +1151,7 @@

    Variables

    - + integer, @@ -1295,7 +1295,7 @@

    Variables

    - + integer, @@ -1311,7 +1311,7 @@

    Variables

    - + integer, @@ -1327,7 +1327,7 @@

    Variables

    - + integer, @@ -1599,7 +1599,7 @@

    Variables

    - + integer, @@ -1615,7 +1615,7 @@

    Variables

    - + integer, @@ -1631,7 +1631,7 @@

    Variables

    - + integer, @@ -1647,7 +1647,7 @@

    Variables

    - + integer, @@ -1663,7 +1663,7 @@

    Variables

    - + integer, @@ -1903,7 +1903,7 @@

    Variables

    - + real(kind=real64) @@ -1919,7 +1919,7 @@

    Variables

    - + real(kind=real64) @@ -1951,7 +1951,7 @@

    Variables

    - + real(kind=real64) @@ -2015,7 +2015,7 @@

    Variables

    - + logical @@ -2413,7 +2413,7 @@

    Arguments

    - + integer, intent(out)
    - + integer, intent(out),
    - + integer, intent(in),
    - + integer @@ -274,7 +274,7 @@

    Variables

    - + integer @@ -290,7 +290,7 @@

    Variables

    - + integer @@ -306,7 +306,7 @@

    Variables

    - + integer @@ -322,7 +322,7 @@

    Variables

    - + integer @@ -498,7 +498,7 @@

    Variables

    - + integer, @@ -514,7 +514,7 @@

    Variables

    - + integer, @@ -530,7 +530,7 @@

    Variables

    - + integer, @@ -578,7 +578,7 @@

    Variables

    - + integer, @@ -594,7 +594,7 @@

    Variables

    - + integer, @@ -610,7 +610,7 @@

    Variables

    - + integer, @@ -626,7 +626,7 @@

    Variables

    - + integer, @@ -642,7 +642,7 @@

    Variables

    - + integer, @@ -818,7 +818,7 @@

    Variables

    - + integer, @@ -834,7 +834,7 @@

    Variables

    - + integer, @@ -850,7 +850,7 @@

    Variables

    - + integer, @@ -866,7 +866,7 @@

    Variables

    - + integer, @@ -1122,7 +1122,7 @@

    Variables

    - + integer, @@ -1138,7 +1138,7 @@

    Variables

    - + integer, @@ -1154,7 +1154,7 @@

    Variables

    - + integer, @@ -1170,7 +1170,7 @@

    Variables

    - + integer, @@ -1186,7 +1186,7 @@

    Variables

    - + integer, @@ -1202,7 +1202,7 @@

    Variables

    - + integer, @@ -1218,7 +1218,7 @@

    Variables

    - + logical, @@ -1234,7 +1234,7 @@

    Variables

    - + type(dbcsr_t_distribution_type) @@ -1250,7 +1250,7 @@

    Variables

    - + type(dbcsr_t_distribution_type) @@ -1394,7 +1394,7 @@

    Variables

    - + integer, @@ -1474,7 +1474,7 @@

    Variables

    - + integer, @@ -1490,7 +1490,7 @@

    Variables

    - + integer, @@ -1506,7 +1506,7 @@

    Variables

    - + integer, @@ -1522,7 +1522,7 @@

    Variables

    - + type(mp_comm_type) diff --git a/develop/program/dbcsr_test_csr_conversions.html b/develop/program/dbcsr_test_csr_conversions.html index 33f44c56446..fc7445daab2 100644 --- a/develop/program/dbcsr_test_csr_conversions.html +++ b/develop/program/dbcsr_test_csr_conversions.html @@ -112,34 +112,34 @@

    Variables

    @@ -194,10 +194,10 @@

    Uses

    • @@ -221,7 +221,7 @@

    Variables
    - + type(dbcsr_type) @@ -237,7 +237,7 @@

    Variables

    - + type(dbcsr_csr_type) @@ -253,7 +253,7 @@

    Variables

    - + integer, @@ -269,7 +269,7 @@

    Variables

    - + integer, @@ -285,7 +285,7 @@

    Variables

    - + integer @@ -301,7 +301,7 @@

    Variables

    - + integer @@ -317,7 +317,7 @@

    Variables

    - + integer, @@ -333,7 +333,7 @@

    Variables

    - + integer, @@ -349,7 +349,7 @@

    Variables

    - + integer @@ -365,7 +365,7 @@

    Variables

    - + integer @@ -381,7 +381,7 @@

    Variables

    - + integer @@ -397,7 +397,7 @@

    Variables

    - + integer, @@ -413,7 +413,7 @@

    Variables

    - + integer, @@ -461,7 +461,7 @@

    Variables

    - + integer @@ -541,7 +541,7 @@

    Variables

    - + real(kind=real_8) @@ -573,7 +573,7 @@

    Variables

    - + real(kind=real_8) @@ -589,7 +589,7 @@

    Variables

    - + real(kind=real_8) @@ -637,7 +637,7 @@

    Variables

    - + type(mp_comm_type) @@ -653,7 +653,7 @@

    Variables

    - + type(mp_comm_type) @@ -704,7 +704,7 @@

    Arguments
    - + type(dbcsr_type), intent(in)
    - + type(dbcsr_csr_type), intent(out)
    - + real(kind=real_8), intent(out)
    - + real(kind=real_8), intent(in)
    - + type(dbcsr_type), intent(out)
    - + type(mp_comm_type), intent(in)
    - + integer,
    - + integer,
    - + integer,
    - + integer,
    - + real(kind=real_8), intent(in)
    - + integer @@ -216,7 +216,7 @@

    Variables

    - + integer @@ -232,7 +232,7 @@

    Variables

    - + integer @@ -248,7 +248,7 @@

    Variables

    - + integer @@ -264,7 +264,7 @@

    Variables

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    - + character(len=*), diff --git a/develop/sourcefile/dbcsr_allocate_wrap.f.html b/develop/sourcefile/dbcsr_allocate_wrap.f.html index 3e2fa0fd892..0ee2c8c1887 100644 --- a/develop/sourcefile/dbcsr_allocate_wrap.f.html +++ b/develop/sourcefile/dbcsr_allocate_wrap.f.html @@ -174,7 +174,7 @@

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    # 17 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_allocate_wrap.F" 2 # 18 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_allocate_wrap.F" - USE dbcsr_kinds, ONLY: real_4, real_8 + USE dbcsr_kinds, ONLY: real_8, real_4 #include "base/dbcsr_base_uses.f90" IMPLICIT NONE diff --git a/develop/sourcefile/dbcsr_array_sort.f.html b/develop/sourcefile/dbcsr_array_sort.f.html index dc3054fc8db..7d64d3bae7e 100644 --- a/develop/sourcefile/dbcsr_array_sort.f.html +++ b/develop/sourcefile/dbcsr_array_sort.f.html @@ -175,7 +175,7 @@

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    !! DBCSR: !! Please use the interface defined in dbcsr_toollib.F for calling sort(). - USE dbcsr_kinds, ONLY: real_4, int_4, int_8, real_8 + USE dbcsr_kinds, ONLY: real_4, int_8, real_8, int_4 IMPLICIT NONE PRIVATE diff --git a/develop/sourcefile/dbcsr_config.f.html b/develop/sourcefile/dbcsr_config.f.html index 108f1d05a9f..b8a0af92e7b 100644 --- a/develop/sourcefile/dbcsr_config.f.html +++ b/develop/sourcefile/dbcsr_config.f.html @@ -74,7 +74,7 @@

    dbcsr_config.F
  • 408 statements + title=" 0.6% of total for source files.">402 statements
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    SET_PARAMETER_DEFAULT(USE_MEMPOOLS_CPU, CONF_PAR_LOGICAL, .FALSE.) SET_PARAMETER_DEFAULT(USE_MPI_ALLOCATOR, CONF_PAR_LOGICAL, .FALSE.) SET_PARAMETER_DEFAULT(TAS_SPLIT_FACTOR, CONF_PAR_REAL, 1.0_real_8) -#if defined(__DBCSR_ACC_G2G) - SET_PARAMETER_DEFAULT(USE_ACC_G2G, CONF_PAR_LOGICAL, .TRUE.) -#endif - END TYPE dbcsr_config_type + SET_PARAMETER_DEFAULT(USE_ACC_G2G, CONF_PAR_LOGICAL, .FALSE.) + END TYPE dbcsr_config_type + + TYPE(dbcsr_config_type), PROTECTED, SAVE :: dbcsr_cfg = dbcsr_config_type() ! defaults - TYPE(dbcsr_config_type), PROTECTED, SAVE :: dbcsr_cfg = dbcsr_config_type() ! defaults - - ! Max dimension for any block dimension - INTEGER, PARAMETER :: max_kernel_dim = 80 - ! Accelerator active device, default to -1, i.e. no device - INTEGER, PARAMETER :: default_accdrv_active_device_id = -1 - INTEGER :: accdrv_active_device_id = default_accdrv_active_device_id - - PUBLIC :: dbcsr_cfg, has_MPI, has_acc, default_resize_factor - PUBLIC :: mm_driver_blas, mm_driver_matmul, mm_driver_smm, mm_driver_xsmm, mm_driver_auto - PUBLIC :: dbcsr_set_config, dbcsr_get_default_config, dbcsr_print_config - PUBLIC :: max_kernel_dim - PUBLIC :: get_accdrv_active_device_id, set_accdrv_active_device_id, reset_accdrv_active_device_id - PUBLIC :: use_acc + ! Max dimension for any block dimension + INTEGER, PARAMETER :: max_kernel_dim = 80 + ! Accelerator active device, default to -1, i.e. no device + INTEGER, PARAMETER :: default_accdrv_active_device_id = -1 + INTEGER :: accdrv_active_device_id = default_accdrv_active_device_id + + PUBLIC :: dbcsr_cfg, has_MPI, has_acc, default_resize_factor + PUBLIC :: mm_driver_blas, mm_driver_matmul, mm_driver_smm, mm_driver_xsmm, mm_driver_auto + PUBLIC :: dbcsr_set_config, dbcsr_get_default_config, dbcsr_print_config + PUBLIC :: max_kernel_dim + PUBLIC :: get_accdrv_active_device_id, set_accdrv_active_device_id, reset_accdrv_active_device_id + PUBLIC :: use_acc + +CONTAINS -CONTAINS - - FUNCTION print_source(this) - CLASS(CONF_PAR), INTENT(IN) :: this - CHARACTER(len=3) :: print_source - - print_source = "("//this%source//")" - END FUNCTION print_source - - FUNCTION conf_par_env_value(this, env_val) result(status) - CLASS(CONF_PAR), INTENT(INOUT) :: this - CLASS(*), INTENT(OUT) :: env_val - LOGICAL :: status - - CHARACTER(len=max_paramter_name_len) :: string_val - INTEGER :: stat - - ! Do nothing is already set via environment variable - IF (this%source == 'E') THEN - status = .TRUE. - RETURN - END IF - - ! Check environment variable, only if default is set - IF (this%source == 'D') THEN - CALL uppercase(this%name) - CALL get_environment_variable("DBCSR_"//this%name, string_val, status=stat) - IF (stat .NE. 0 .AND. stat .NE. 1) DBCSR_ABORT("Invalid environment value") - IF (stat == 0) THEN - this%source = 'E' - - SELECT TYPE (env_val) - TYPE IS (CHARACTER(len=*)) - env_val = string_val - TYPE IS (INTEGER) - call str2int(string_val, env_val, stat) - IF (stat .NE. 0) & - DBCSR_ABORT("Wrong environment variable reading. Expecting an integer value.") - CLASS DEFAULT - DBCSR_ABORT("Unrecognized type") - END SELECT - END IF - END IF + FUNCTION print_source(this) + CLASS(CONF_PAR), INTENT(IN) :: this + CHARACTER(len=3) :: print_source + + print_source = "("//this%source//")" + END FUNCTION print_source + + FUNCTION conf_par_env_value(this, env_val) result(status) + CLASS(CONF_PAR), INTENT(INOUT) :: this + CLASS(*), INTENT(OUT) :: env_val + LOGICAL :: status + + CHARACTER(len=max_paramter_name_len) :: string_val + INTEGER :: stat + + ! Do nothing is already set via environment variable + IF (this%source == 'E') THEN + status = .TRUE. + RETURN + END IF + + ! Check environment variable, only if default is set + IF (this%source == 'D') THEN + CALL uppercase(this%name) + CALL get_environment_variable("DBCSR_"//this%name, string_val, status=stat) + IF (stat .NE. 0 .AND. stat .NE. 1) DBCSR_ABORT("Invalid environment value") + IF (stat == 0) THEN + this%source = 'E' + + SELECT TYPE (env_val) + TYPE IS (CHARACTER(len=*)) + env_val = string_val + TYPE IS (INTEGER) + call str2int(string_val, env_val, stat) + IF (stat .NE. 0) & + DBCSR_ABORT("Wrong environment variable reading. Expecting an integer value.") + CLASS DEFAULT + DBCSR_ABORT("Unrecognized type") + END SELECT + END IF + END IF + + status = .FALSE. - status = .FALSE. + END FUNCTION CONF_PAR_ENV_VALUE - END FUNCTION CONF_PAR_ENV_VALUE - - SUBROUTINE set_conf_par_int(this, integer_val) - CLASS(CONF_PAR_INT), INTENT(INOUT) :: this - INTEGER, INTENT(IN), OPTIONAL :: integer_val + SUBROUTINE set_conf_par_int(this, integer_val) + CLASS(CONF_PAR_INT), INTENT(INOUT) :: this + INTEGER, INTENT(IN), OPTIONAL :: integer_val + + INTEGER :: my_integer_val - INTEGER :: my_integer_val + IF (this%env_value(my_integer_val)) RETURN - IF (this%env_value(my_integer_val)) RETURN - - ! Use User-code value - IF (PRESENT(integer_val) .AND. this%source .NE. 'E') THEN - my_integer_val = integer_val - this%source = 'U' - END IF - - IF (PRESENT(integer_val) .OR. this%source .EQ. 'E') THEN - ! Set default if the number is negative - IF (this%ensure_positive .AND. my_integer_val < 0) THEN - this%val = this%defval - this%source = 'D' - ELSE - this%val = my_integer_val - END IF - END IF + ! Use User-code value + IF (PRESENT(integer_val) .AND. this%source .NE. 'E') THEN + my_integer_val = integer_val + this%source = 'U' + END IF + + IF (PRESENT(integer_val) .OR. this%source .EQ. 'E') THEN + ! Set default if the number is negative + IF (this%ensure_positive .AND. my_integer_val < 0) THEN + this%val = this%defval + this%source = 'D' + ELSE + this%val = my_integer_val + END IF + END IF + + END SUBROUTINE set_conf_par_int - END SUBROUTINE set_conf_par_int - - SUBROUTINE set_conf_par_mm_driver(this, mm_driver) - CLASS(CONF_PAR_MM_DRIVER), INTENT(INOUT) :: this - CHARACTER(len=*), INTENT(IN), OPTIONAL :: mm_driver + SUBROUTINE set_conf_par_mm_driver(this, mm_driver) + CLASS(CONF_PAR_MM_DRIVER), INTENT(INOUT) :: this + CHARACTER(len=*), INTENT(IN), OPTIONAL :: mm_driver + + CHARACTER(len=max_paramter_value_len) :: my_mm_driver - CHARACTER(len=max_paramter_value_len) :: my_mm_driver + IF (this%env_value(my_mm_driver)) RETURN - IF (this%env_value(my_mm_driver)) RETURN - - ! Use User-code value - IF (PRESENT(mm_driver) .AND. this%source .NE. 'E') THEN - my_mm_driver = TRIM(mm_driver) - this%source = 'U' - END IF - - ! Check input value - IF (PRESENT(mm_driver) .OR. this%source .EQ. 'E') THEN - CALL uppercase(my_mm_driver) - IF (my_mm_driver .EQ. mm_name_auto) THEN - this%val = this%defval - ELSE IF (my_mm_driver .EQ. mm_name_blas) THEN - this%val = mm_driver_blas ! always available - ELSE IF (my_mm_driver .EQ. mm_name_matmul) THEN - this%val = mm_driver_matmul ! always available - ELSE IF (my_mm_driver .EQ. mm_name_smm) THEN - IF (.NOT. has_smm) DBCSR_ABORT("Support for libsmm not compiled in.") - this%val = mm_driver_smm - ELSE IF (my_mm_driver .EQ. mm_name_xsmm) THEN - IF (.NOT. has_xsmm) DBCSR_ABORT("Support for libxsmm not compiled in.") - this%val = mm_driver_xsmm - ELSE - DBCSR_ABORT("Unknown MM driver: "//TRIM(mm_driver)) - END IF - END IF - END SUBROUTINE set_conf_par_mm_driver - - SUBROUTINE set_conf_par_logical(this, logical_val) - CLASS(CONF_PAR_LOGICAL), INTENT(INOUT) :: this - LOGICAL, INTENT(IN), OPTIONAL :: logical_val + ! Use User-code value + IF (PRESENT(mm_driver) .AND. this%source .NE. 'E') THEN + my_mm_driver = TRIM(mm_driver) + this%source = 'U' + END IF + + ! Check input value + IF (PRESENT(mm_driver) .OR. this%source .EQ. 'E') THEN + CALL uppercase(my_mm_driver) + IF (my_mm_driver .EQ. mm_name_auto) THEN + this%val = this%defval + ELSE IF (my_mm_driver .EQ. mm_name_blas) THEN + this%val = mm_driver_blas ! always available + ELSE IF (my_mm_driver .EQ. mm_name_matmul) THEN + this%val = mm_driver_matmul ! always available + ELSE IF (my_mm_driver .EQ. mm_name_smm) THEN + IF (.NOT. has_smm) DBCSR_ABORT("Support for libsmm not compiled in.") + this%val = mm_driver_smm + ELSE IF (my_mm_driver .EQ. mm_name_xsmm) THEN + IF (.NOT. has_xsmm) DBCSR_ABORT("Support for libxsmm not compiled in.") + this%val = mm_driver_xsmm + ELSE + DBCSR_ABORT("Unknown MM driver: "//TRIM(mm_driver)) + END IF + END IF + END SUBROUTINE set_conf_par_mm_driver + + SUBROUTINE set_conf_par_logical(this, logical_val) + CLASS(CONF_PAR_LOGICAL), INTENT(INOUT) :: this + LOGICAL, INTENT(IN), OPTIONAL :: logical_val + + INTEGER :: my_integer_val - INTEGER :: my_integer_val + IF (this%env_value(my_integer_val)) RETURN - IF (this%env_value(my_integer_val)) RETURN - - ! Use env value - IF (this%source .EQ. 'E') THEN - this%val = (my_integer_val .NE. 0) - RETURN - END IF - - ! Use User-code value - IF (PRESENT(logical_val)) THEN - this%val = logical_val - this%source = 'U' - END IF + ! Use env value + IF (this%source .EQ. 'E') THEN + this%val = (my_integer_val .NE. 0) + RETURN + END IF + + ! Use User-code value + IF (PRESENT(logical_val)) THEN + this%val = logical_val + this%source = 'U' + END IF + + END SUBROUTINE set_conf_par_logical - END SUBROUTINE set_conf_par_logical - - SUBROUTINE set_conf_par_real(this, real_val) - CLASS(CONF_PAR_REAL), INTENT(INOUT) :: this - REAL(KIND=real_8), INTENT(IN), OPTIONAL :: real_val - - IF (PRESENT(real_val)) THEN - this%val = real_val - this%source = 'U' - END IF + SUBROUTINE set_conf_par_real(this, real_val) + CLASS(CONF_PAR_REAL), INTENT(INOUT) :: this + REAL(KIND=real_8), INTENT(IN), OPTIONAL :: real_val + + IF (PRESENT(real_val)) THEN + this%val = real_val + this%source = 'U' + END IF + + END SUBROUTINE set_conf_par_real - END SUBROUTINE set_conf_par_real - - SUBROUTINE dbcsr_set_config( & - mm_driver, & - use_mpi_allocator, & - mm_stack_size, & - avg_elements_images, & - num_mult_images, & - nstacks, & - use_mpi_rma, & - num_layers_3D, & - use_comm_thread, & - comm_thread_load, & - mm_dense, & - multrec_limit, & - run_on_gpu, & - accdrv_thread_buffers, & - accdrv_avoid_after_busy, & - accdrv_min_flop_process, & - accdrv_stack_sort, & - accdrv_min_flop_sort, & - accdrv_do_inhomogenous, & - accdrv_binning_nbins, & - accdrv_binning_binsize, & - use_mempools_cpu, & - tas_split_factor, & - use_acc_g2g) - - CHARACTER(len=*), INTENT(IN), OPTIONAL :: mm_driver - LOGICAL, INTENT(IN), OPTIONAL :: use_mpi_allocator - INTEGER, INTENT(IN), OPTIONAL :: avg_elements_images - !! Maximum number of elements for each image - INTEGER, INTENT(IN), OPTIONAL :: num_mult_images - !! Multiplicative factor for number of virtual images - INTEGER, INTENT(IN), OPTIONAL :: nstacks - !! Number of stacks to use - INTEGER, INTENT(IN), OPTIONAL :: mm_stack_size - LOGICAL, INTENT(IN), OPTIONAL :: use_mpi_rma - !! use_mpi_rma RMA algorithm - INTEGER, INTENT(IN), OPTIONAL :: num_layers_3D - !! num_layers_3D 3D layers - LOGICAL, INTENT(IN), OPTIONAL :: use_comm_thread - INTEGER, INTENT(IN), OPTIONAL :: comm_thread_load - LOGICAL, INTENT(IN), OPTIONAL :: mm_dense - LOGICAL, INTENT(IN), OPTIONAL :: run_on_gpu - INTEGER, INTENT(IN), OPTIONAL :: multrec_limit, accdrv_thread_buffers - LOGICAL, INTENT(IN), OPTIONAL :: accdrv_avoid_after_busy - INTEGER, INTENT(IN), OPTIONAL :: accdrv_min_flop_process - LOGICAL, INTENT(IN), OPTIONAL :: accdrv_stack_sort - INTEGER, INTENT(IN), OPTIONAL :: accdrv_min_flop_sort - LOGICAL, INTENT(IN), OPTIONAL :: accdrv_do_inhomogenous - INTEGER, INTENT(IN), OPTIONAL :: accdrv_binning_nbins, & - accdrv_binning_binsize - LOGICAL, INTENT(IN), OPTIONAL :: use_mempools_cpu - REAL(KIND=real_8), INTENT(IN), OPTIONAL :: tas_split_factor - LOGICAL, INTENT(IN), OPTIONAL :: use_acc_g2g + SUBROUTINE dbcsr_set_config( & + mm_driver, & + use_mpi_allocator, & + mm_stack_size, & + avg_elements_images, & + num_mult_images, & + nstacks, & + use_mpi_rma, & + num_layers_3D, & + use_comm_thread, & + comm_thread_load, & + mm_dense, & + multrec_limit, & + run_on_gpu, & + accdrv_thread_buffers, & + accdrv_avoid_after_busy, & + accdrv_min_flop_process, & + accdrv_stack_sort, & + accdrv_min_flop_sort, & + accdrv_do_inhomogenous, & + accdrv_binning_nbins, & + accdrv_binning_binsize, & + use_mempools_cpu, & + tas_split_factor, & + use_acc_g2g) + + CHARACTER(len=*), INTENT(IN), OPTIONAL :: mm_driver + LOGICAL, INTENT(IN), OPTIONAL :: use_mpi_allocator + INTEGER, INTENT(IN), OPTIONAL :: avg_elements_images + !! Maximum number of elements for each image + INTEGER, INTENT(IN), OPTIONAL :: num_mult_images + !! Multiplicative factor for number of virtual images + INTEGER, INTENT(IN), OPTIONAL :: nstacks + !! Number of stacks to use + INTEGER, INTENT(IN), OPTIONAL :: mm_stack_size + LOGICAL, INTENT(IN), OPTIONAL :: use_mpi_rma + !! use_mpi_rma RMA algorithm + INTEGER, INTENT(IN), OPTIONAL :: num_layers_3D + !! num_layers_3D 3D layers + LOGICAL, INTENT(IN), OPTIONAL :: use_comm_thread + INTEGER, INTENT(IN), OPTIONAL :: comm_thread_load + LOGICAL, INTENT(IN), OPTIONAL :: mm_dense + LOGICAL, INTENT(IN), OPTIONAL :: run_on_gpu + INTEGER, INTENT(IN), OPTIONAL :: multrec_limit, accdrv_thread_buffers + LOGICAL, INTENT(IN), OPTIONAL :: accdrv_avoid_after_busy + INTEGER, INTENT(IN), OPTIONAL :: accdrv_min_flop_process + LOGICAL, INTENT(IN), OPTIONAL :: accdrv_stack_sort + INTEGER, INTENT(IN), OPTIONAL :: accdrv_min_flop_sort + LOGICAL, INTENT(IN), OPTIONAL :: accdrv_do_inhomogenous + INTEGER, INTENT(IN), OPTIONAL :: accdrv_binning_nbins, & + accdrv_binning_binsize + LOGICAL, INTENT(IN), OPTIONAL :: use_mempools_cpu + REAL(KIND=real_8), INTENT(IN), OPTIONAL :: tas_split_factor + LOGICAL, INTENT(IN), OPTIONAL :: use_acc_g2g + + INTEGER, SAVE :: nthreads = 0 - INTEGER, SAVE :: nthreads = 0 - - CALL dbcsr_cfg%use_mpi_allocator%set(use_mpi_allocator) - CALL dbcsr_cfg%avg_elements_images%set(avg_elements_images) - CALL dbcsr_cfg%num_mult_images%set(num_mult_images) - CALL dbcsr_cfg%use_mpi_rma%set(use_mpi_rma) - CALL dbcsr_cfg%num_layers_3D%set(num_layers_3D) - CALL dbcsr_cfg%use_comm_thread%set(use_comm_thread) - CALL dbcsr_cfg%multrec_limit%set(multrec_limit) - CALL dbcsr_cfg%run_on_gpu%set(run_on_gpu) - CALL dbcsr_cfg%accdrv_thread_buffers%set(accdrv_thread_buffers) - CALL dbcsr_cfg%accdrv_avoid_after_busy%set(accdrv_avoid_after_busy) - CALL dbcsr_cfg%accdrv_min_flop_process%set(accdrv_min_flop_process) - CALL dbcsr_cfg%accdrv_stack_sort%set(accdrv_stack_sort) - CALL dbcsr_cfg%accdrv_min_flop_sort%set(accdrv_min_flop_sort) - CALL dbcsr_cfg%accdrv_do_inhomogenous%set(accdrv_do_inhomogenous) - CALL dbcsr_cfg%accdrv_binning_nbins%set(accdrv_binning_nbins) - CALL dbcsr_cfg%accdrv_binning_binsize%set(accdrv_binning_binsize) - CALL dbcsr_cfg%use_mempools_cpu%set(use_mempools_cpu) - CALL dbcsr_cfg%tas_split_factor%set(tas_split_factor) -#if defined(__DBCSR_ACC_G2G) - CALL dbcsr_cfg%use_acc_g2g%set(use_acc_g2g) -#else - MARK_USED(use_acc_g2g) -#endif - - IF (0 == nthreads) THEN - nthreads = 1 -!$ nthreads = OMP_GET_MAX_THREADS() + CALL dbcsr_cfg%use_mpi_allocator%set(use_mpi_allocator) + CALL dbcsr_cfg%avg_elements_images%set(avg_elements_images) + CALL dbcsr_cfg%num_mult_images%set(num_mult_images) + CALL dbcsr_cfg%use_mpi_rma%set(use_mpi_rma) + CALL dbcsr_cfg%num_layers_3D%set(num_layers_3D) + CALL dbcsr_cfg%use_comm_thread%set(use_comm_thread) + CALL dbcsr_cfg%multrec_limit%set(multrec_limit) + CALL dbcsr_cfg%run_on_gpu%set(run_on_gpu) + CALL dbcsr_cfg%accdrv_thread_buffers%set(accdrv_thread_buffers) + CALL dbcsr_cfg%accdrv_avoid_after_busy%set(accdrv_avoid_after_busy) + CALL dbcsr_cfg%accdrv_min_flop_process%set(accdrv_min_flop_process) + CALL dbcsr_cfg%accdrv_stack_sort%set(accdrv_stack_sort) + CALL dbcsr_cfg%accdrv_min_flop_sort%set(accdrv_min_flop_sort) + CALL dbcsr_cfg%accdrv_do_inhomogenous%set(accdrv_do_inhomogenous) + CALL dbcsr_cfg%accdrv_binning_nbins%set(accdrv_binning_nbins) + CALL dbcsr_cfg%accdrv_binning_binsize%set(accdrv_binning_binsize) + CALL dbcsr_cfg%use_mempools_cpu%set(use_mempools_cpu) + CALL dbcsr_cfg%tas_split_factor%set(tas_split_factor) + CALL dbcsr_cfg%use_acc_g2g%set(use_acc_g2g) + + IF (0 == nthreads) THEN + nthreads = 1 +!$ nthreads = OMP_GET_MAX_THREADS() + END IF + ! Change default values + IF (dbcsr_cfg%use_mpi_rma%val) THEN + dbcsr_cfg%comm_thread_load%defval = 100 + ELSE + dbcsr_cfg%comm_thread_load%defval = MAX(0, 90 - (30*nthreads)/8) END IF - ! Change default values - IF (dbcsr_cfg%use_mpi_rma%val) THEN - dbcsr_cfg%comm_thread_load%defval = 100 - ELSE - dbcsr_cfg%comm_thread_load%defval = MAX(0, 90 - (30*nthreads)/8) - END IF - CALL dbcsr_cfg%comm_thread_load%set(comm_thread_load) - - CALL dbcsr_cfg%n_stacks%set(nstacks) - CALL dbcsr_cfg%mm_driver%set(mm_driver) - - ! If ACC is turned-off, use the CPU defaults - IF (.NOT. PRESENT(mm_stack_size) .AND. .NOT. dbcsr_cfg%run_on_gpu%val) THEN - CALL dbcsr_cfg%mm_stack_size%set(mm_stack_default_size_cpu) + CALL dbcsr_cfg%comm_thread_load%set(comm_thread_load) + + CALL dbcsr_cfg%n_stacks%set(nstacks) + CALL dbcsr_cfg%mm_driver%set(mm_driver) + + ! If ACC is turned-off, use the CPU defaults + IF (.NOT. PRESENT(mm_stack_size) .AND. .NOT. dbcsr_cfg%run_on_gpu%val) THEN + CALL dbcsr_cfg%mm_stack_size%set(mm_stack_default_size_cpu) + ELSE + CALL dbcsr_cfg%mm_stack_size%set(mm_stack_size) + END IF + + IF (.NOT. PRESENT(mm_dense) .AND. .NOT. dbcsr_cfg%run_on_gpu%val) THEN + CALL dbcsr_cfg%mm_dense%set(mm_dense_default_cpu) ELSE - CALL dbcsr_cfg%mm_stack_size%set(mm_stack_size) + CALL dbcsr_cfg%mm_dense%set(mm_dense) END IF - IF (.NOT. PRESENT(mm_dense) .AND. .NOT. dbcsr_cfg%run_on_gpu%val) THEN - CALL dbcsr_cfg%mm_dense%set(mm_dense_default_cpu) - ELSE - CALL dbcsr_cfg%mm_dense%set(mm_dense) - END IF - - END SUBROUTINE dbcsr_set_config - - SUBROUTINE dbcsr_get_default_config( & - use_mpi_allocator, & - mm_stack_size, & - avg_elements_images, & - num_mult_images, & - nstacks, & - use_mpi_rma, & - num_layers_3D, & - use_comm_thread, & - comm_thread_load, & - mm_dense, & - run_on_gpu, & - multrec_limit, & - accdrv_thread_buffers, & - accdrv_avoid_after_busy, & - accdrv_min_flop_process, & - accdrv_stack_sort, & - accdrv_min_flop_sort, & - accdrv_do_inhomogenous, & - accdrv_binning_nbins, & - accdrv_binning_binsize, & - use_mempools_cpu, & - tas_split_factor, & - use_acc_g2g) -! - LOGICAL, INTENT(OUT), OPTIONAL :: use_mpi_allocator - INTEGER, INTENT(OUT), OPTIONAL :: mm_stack_size, avg_elements_images, & - num_mult_images, nstacks - LOGICAL, INTENT(OUT), OPTIONAL :: use_mpi_rma - INTEGER, INTENT(OUT), OPTIONAL :: num_layers_3D - LOGICAL, INTENT(OUT), OPTIONAL :: use_comm_thread - INTEGER, INTENT(OUT), OPTIONAL :: comm_thread_load - LOGICAL, INTENT(OUT), OPTIONAL :: mm_dense, run_on_gpu - INTEGER, INTENT(OUT), OPTIONAL :: multrec_limit, accdrv_thread_buffers - LOGICAL, INTENT(OUT), OPTIONAL :: accdrv_avoid_after_busy - INTEGER, INTENT(OUT), OPTIONAL :: accdrv_min_flop_process - LOGICAL, INTENT(OUT), OPTIONAL :: accdrv_stack_sort - INTEGER, INTENT(OUT), OPTIONAL :: accdrv_min_flop_sort - LOGICAL, INTENT(OUT), OPTIONAL :: accdrv_do_inhomogenous - INTEGER, INTENT(OUT), OPTIONAL :: accdrv_binning_nbins, & - accdrv_binning_binsize - LOGICAL, INTENT(OUT), OPTIONAL :: use_mempools_cpu - REAL(KIND=real_8), INTENT(OUT), OPTIONAL :: tas_split_factor - LOGICAL, INTENT(OUT), OPTIONAL :: use_acc_g2g - - IF (PRESENT(use_mpi_allocator)) use_mpi_allocator = dbcsr_cfg%use_mpi_allocator%defval - IF (PRESENT(mm_stack_size)) mm_stack_size = dbcsr_cfg%mm_stack_size%defval - IF (PRESENT(avg_elements_images)) avg_elements_images = dbcsr_cfg%avg_elements_images%defval - IF (PRESENT(num_mult_images)) num_mult_images = dbcsr_cfg%num_mult_images%defval - IF (PRESENT(use_mpi_rma)) use_mpi_rma = dbcsr_cfg%use_mpi_rma%defval - IF (PRESENT(num_layers_3D)) num_layers_3D = dbcsr_cfg%num_layers_3D%defval - IF (PRESENT(use_comm_thread)) use_comm_thread = dbcsr_cfg%use_comm_thread%defval - IF (PRESENT(comm_thread_load)) comm_thread_load = dbcsr_cfg%comm_thread_load%defval - IF (PRESENT(mm_dense)) mm_dense = dbcsr_cfg%mm_dense%defval - IF (PRESENT(multrec_limit)) multrec_limit = dbcsr_cfg%multrec_limit%defval - IF (PRESENT(run_on_gpu)) run_on_gpu = dbcsr_cfg%run_on_gpu%defval - IF (PRESENT(accdrv_thread_buffers)) accdrv_thread_buffers = dbcsr_cfg%accdrv_thread_buffers%defval - IF (PRESENT(accdrv_avoid_after_busy)) accdrv_avoid_after_busy = dbcsr_cfg%accdrv_avoid_after_busy%defval - IF (PRESENT(accdrv_min_flop_process)) accdrv_min_flop_process = dbcsr_cfg%accdrv_min_flop_process%defval - IF (PRESENT(accdrv_stack_sort)) accdrv_stack_sort = dbcsr_cfg%accdrv_stack_sort%defval - IF (PRESENT(accdrv_min_flop_sort)) accdrv_min_flop_sort = dbcsr_cfg%accdrv_min_flop_sort%defval - IF (PRESENT(accdrv_do_inhomogenous)) accdrv_do_inhomogenous = dbcsr_cfg%accdrv_do_inhomogenous%defval - IF (PRESENT(accdrv_binning_nbins)) accdrv_binning_nbins = dbcsr_cfg%accdrv_binning_nbins%defval - IF (PRESENT(accdrv_binning_binsize)) accdrv_binning_binsize = dbcsr_cfg%accdrv_binning_binsize%defval - IF (PRESENT(use_mempools_cpu)) use_mempools_cpu = dbcsr_cfg%use_mempools_cpu%defval - IF (PRESENT(nstacks)) nstacks = dbcsr_cfg%n_stacks%defval - IF (PRESENT(tas_split_factor)) tas_split_factor = dbcsr_cfg%tas_split_factor%defval -#if defined(__DBCSR_ACC_G2G) - IF (PRESENT(use_acc_g2g)) use_acc_g2g = dbcsr_cfg%use_acc_g2g%defval -#else - MARK_USED(use_acc_g2g) -#endif - - END SUBROUTINE dbcsr_get_default_config - - SUBROUTINE dbcsr_print_config(unit_nr) - !! Prints configuration for DBCSR - INTEGER, INTENT(IN) :: unit_nr - - CHARACTER(len=default_string_length) :: mm_name - - IF (unit_nr <= 0) & - RETURN - - SELECT CASE (dbcsr_cfg%mm_driver%val) - CASE (mm_driver_blas); mm_name = mm_name_blas - CASE (mm_driver_matmul); mm_name = mm_name_matmul - CASE (mm_driver_smm); mm_name = mm_name_smm - CASE (mm_driver_xsmm); mm_name = mm_name_xsmm - CASE DEFAULT - DBCSR_ABORT("Unknown MM driver") - END SELECT - - WRITE (UNIT=unit_nr, FMT='(1X,A,T41,A40,A4)') & - "DBCSR| CPU Multiplication driver", ADJUSTR(mm_name(1:40)), & - dbcsr_cfg%mm_driver%print_source() - - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| Multrec recursion limit", dbcsr_cfg%multrec_limit%val, & - dbcsr_cfg%multrec_limit%print_source() - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| Multiplication stack size", dbcsr_cfg%mm_stack_size%val, & - dbcsr_cfg%mm_stack_size%print_source() - - IF (dbcsr_cfg%avg_elements_images%val > 0) THEN - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| Average elements for images", dbcsr_cfg%avg_elements_images%val, & - dbcsr_cfg%avg_elements_images%print_source() - ELSE - WRITE (UNIT=unit_nr, FMT='(1X,A,T72,A,A4)') & - "DBCSR| Maximum elements for images", "UNLIMITED", & - dbcsr_cfg%avg_elements_images%print_source() - END IF - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| Multiplicative factor virtual images", dbcsr_cfg%num_mult_images%val, & - dbcsr_cfg%num_mult_images%print_source() - - WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & - "DBCSR| Use multiplication densification", dbcsr_cfg%mm_dense%val, & - dbcsr_cfg%mm_dense%print_source() - - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| Multiplication size stacks", dbcsr_cfg%n_stacks%val, & - dbcsr_cfg%n_stacks%print_source() - - WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & - "DBCSR| Use memory pool for CPU allocation", dbcsr_cfg%use_mempools_cpu%val, & - dbcsr_cfg%use_mempools_cpu%print_source() - - IF (has_mpi) THEN - IF (dbcsr_cfg%num_layers_3D%val < 2) THEN - WRITE (UNIT=unit_nr, FMT='(1X,A,T75,A,A4)') & - "DBCSR| Number of 3D layers", "SINGLE", & - dbcsr_cfg%use_mempools_cpu%print_source() - ELSE - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| Number of 3D layers", dbcsr_cfg%num_layers_3D%val, & - dbcsr_cfg%use_mempools_cpu%print_source() - END IF - WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & - "DBCSR| Use MPI memory allocation", dbcsr_cfg%use_mpi_allocator%val, & - dbcsr_cfg%use_mpi_allocator%print_source() - WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & - "DBCSR| Use RMA algorithm", dbcsr_cfg%use_mpi_rma%val, & - dbcsr_cfg%use_mpi_rma%print_source() - WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & - "DBCSR| Use Communication thread", dbcsr_cfg%use_comm_thread%val, & - dbcsr_cfg%use_comm_thread%print_source() - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| Communication thread load", dbcsr_cfg%comm_thread_load%val, & - dbcsr_cfg%comm_thread_load%print_source() + END SUBROUTINE dbcsr_set_config + + SUBROUTINE dbcsr_get_default_config( & + use_mpi_allocator, & + mm_stack_size, & + avg_elements_images, & + num_mult_images, & + nstacks, & + use_mpi_rma, & + num_layers_3D, & + use_comm_thread, & + comm_thread_load, & + mm_dense, & + run_on_gpu, & + multrec_limit, & + accdrv_thread_buffers, & + accdrv_avoid_after_busy, & + accdrv_min_flop_process, & + accdrv_stack_sort, & + accdrv_min_flop_sort, & + accdrv_do_inhomogenous, & + accdrv_binning_nbins, & + accdrv_binning_binsize, & + use_mempools_cpu, & + tas_split_factor, & + use_acc_g2g) +! + LOGICAL, INTENT(OUT), OPTIONAL :: use_mpi_allocator + INTEGER, INTENT(OUT), OPTIONAL :: mm_stack_size, avg_elements_images, & + num_mult_images, nstacks + LOGICAL, INTENT(OUT), OPTIONAL :: use_mpi_rma + INTEGER, INTENT(OUT), OPTIONAL :: num_layers_3D + LOGICAL, INTENT(OUT), OPTIONAL :: use_comm_thread + INTEGER, INTENT(OUT), OPTIONAL :: comm_thread_load + LOGICAL, INTENT(OUT), OPTIONAL :: mm_dense, run_on_gpu + INTEGER, INTENT(OUT), OPTIONAL :: multrec_limit, accdrv_thread_buffers + LOGICAL, INTENT(OUT), OPTIONAL :: accdrv_avoid_after_busy + INTEGER, INTENT(OUT), OPTIONAL :: accdrv_min_flop_process + LOGICAL, INTENT(OUT), OPTIONAL :: accdrv_stack_sort + INTEGER, INTENT(OUT), OPTIONAL :: accdrv_min_flop_sort + LOGICAL, INTENT(OUT), OPTIONAL :: accdrv_do_inhomogenous + INTEGER, INTENT(OUT), OPTIONAL :: accdrv_binning_nbins, & + accdrv_binning_binsize + LOGICAL, INTENT(OUT), OPTIONAL :: use_mempools_cpu + REAL(KIND=real_8), INTENT(OUT), OPTIONAL :: tas_split_factor + LOGICAL, INTENT(OUT), OPTIONAL :: use_acc_g2g + + IF (PRESENT(use_mpi_allocator)) use_mpi_allocator = dbcsr_cfg%use_mpi_allocator%defval + IF (PRESENT(mm_stack_size)) mm_stack_size = dbcsr_cfg%mm_stack_size%defval + IF (PRESENT(avg_elements_images)) avg_elements_images = dbcsr_cfg%avg_elements_images%defval + IF (PRESENT(num_mult_images)) num_mult_images = dbcsr_cfg%num_mult_images%defval + IF (PRESENT(use_mpi_rma)) use_mpi_rma = dbcsr_cfg%use_mpi_rma%defval + IF (PRESENT(num_layers_3D)) num_layers_3D = dbcsr_cfg%num_layers_3D%defval + IF (PRESENT(use_comm_thread)) use_comm_thread = dbcsr_cfg%use_comm_thread%defval + IF (PRESENT(comm_thread_load)) comm_thread_load = dbcsr_cfg%comm_thread_load%defval + IF (PRESENT(mm_dense)) mm_dense = dbcsr_cfg%mm_dense%defval + IF (PRESENT(multrec_limit)) multrec_limit = dbcsr_cfg%multrec_limit%defval + IF (PRESENT(run_on_gpu)) run_on_gpu = dbcsr_cfg%run_on_gpu%defval + IF (PRESENT(accdrv_thread_buffers)) accdrv_thread_buffers = dbcsr_cfg%accdrv_thread_buffers%defval + IF (PRESENT(accdrv_avoid_after_busy)) accdrv_avoid_after_busy = dbcsr_cfg%accdrv_avoid_after_busy%defval + IF (PRESENT(accdrv_min_flop_process)) accdrv_min_flop_process = dbcsr_cfg%accdrv_min_flop_process%defval + IF (PRESENT(accdrv_stack_sort)) accdrv_stack_sort = dbcsr_cfg%accdrv_stack_sort%defval + IF (PRESENT(accdrv_min_flop_sort)) accdrv_min_flop_sort = dbcsr_cfg%accdrv_min_flop_sort%defval + IF (PRESENT(accdrv_do_inhomogenous)) accdrv_do_inhomogenous = dbcsr_cfg%accdrv_do_inhomogenous%defval + IF (PRESENT(accdrv_binning_nbins)) accdrv_binning_nbins = dbcsr_cfg%accdrv_binning_nbins%defval + IF (PRESENT(accdrv_binning_binsize)) accdrv_binning_binsize = dbcsr_cfg%accdrv_binning_binsize%defval + IF (PRESENT(use_mempools_cpu)) use_mempools_cpu = dbcsr_cfg%use_mempools_cpu%defval + IF (PRESENT(nstacks)) nstacks = dbcsr_cfg%n_stacks%defval + IF (PRESENT(tas_split_factor)) tas_split_factor = dbcsr_cfg%tas_split_factor%defval + IF (PRESENT(use_acc_g2g)) use_acc_g2g = dbcsr_cfg%use_acc_g2g%defval + + END SUBROUTINE dbcsr_get_default_config + + SUBROUTINE dbcsr_print_config(unit_nr) + !! Prints configuration for DBCSR + INTEGER, INTENT(IN) :: unit_nr + + CHARACTER(len=default_string_length) :: mm_name + + IF (unit_nr <= 0) & + RETURN + + SELECT CASE (dbcsr_cfg%mm_driver%val) + CASE (mm_driver_blas); mm_name = mm_name_blas + CASE (mm_driver_matmul); mm_name = mm_name_matmul + CASE (mm_driver_smm); mm_name = mm_name_smm + CASE (mm_driver_xsmm); mm_name = mm_name_xsmm + CASE DEFAULT + DBCSR_ABORT("Unknown MM driver") + END SELECT + + WRITE (UNIT=unit_nr, FMT='(1X,A,T41,A40,A4)') & + "DBCSR| CPU Multiplication driver", ADJUSTR(mm_name(1:40)), & + dbcsr_cfg%mm_driver%print_source() + + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| Multrec recursion limit", dbcsr_cfg%multrec_limit%val, & + dbcsr_cfg%multrec_limit%print_source() + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| Multiplication stack size", dbcsr_cfg%mm_stack_size%val, & + dbcsr_cfg%mm_stack_size%print_source() + + IF (dbcsr_cfg%avg_elements_images%val > 0) THEN + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| Average elements for images", dbcsr_cfg%avg_elements_images%val, & + dbcsr_cfg%avg_elements_images%print_source() + ELSE + WRITE (UNIT=unit_nr, FMT='(1X,A,T72,A,A4)') & + "DBCSR| Maximum elements for images", "UNLIMITED", & + dbcsr_cfg%avg_elements_images%print_source() + END IF + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| Multiplicative factor virtual images", dbcsr_cfg%num_mult_images%val, & + dbcsr_cfg%num_mult_images%print_source() + + WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & + "DBCSR| Use multiplication densification", dbcsr_cfg%mm_dense%val, & + dbcsr_cfg%mm_dense%print_source() + + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| Multiplication size stacks", dbcsr_cfg%n_stacks%val, & + dbcsr_cfg%n_stacks%print_source() + + WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & + "DBCSR| Use memory pool for CPU allocation", dbcsr_cfg%use_mempools_cpu%val, & + dbcsr_cfg%use_mempools_cpu%print_source() + + IF (has_mpi) THEN + IF (dbcsr_cfg%num_layers_3D%val < 2) THEN + WRITE (UNIT=unit_nr, FMT='(1X,A,T75,A,A4)') & + "DBCSR| Number of 3D layers", "SINGLE", & + dbcsr_cfg%use_mempools_cpu%print_source() + ELSE + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| Number of 3D layers", dbcsr_cfg%num_layers_3D%val, & + dbcsr_cfg%use_mempools_cpu%print_source() + END IF + WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & + "DBCSR| Use MPI memory allocation", dbcsr_cfg%use_mpi_allocator%val, & + dbcsr_cfg%use_mpi_allocator%print_source() + WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & + "DBCSR| Use RMA algorithm", dbcsr_cfg%use_mpi_rma%val, & + dbcsr_cfg%use_mpi_rma%print_source() + WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & + "DBCSR| Use Communication thread", dbcsr_cfg%use_comm_thread%val, & + dbcsr_cfg%use_comm_thread%print_source() + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| Communication thread load", dbcsr_cfg%comm_thread_load%val, & + dbcsr_cfg%comm_thread_load%print_source() + + BLOCK + INTEGER :: numnodes, mynode + CALL mp_environ(numnodes, mynode, mp_comm_world) + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11)') & + "DBCSR| MPI: My process id", mynode + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11)') & + "DBCSR| MPI: Number of processes", numnodes + END BLOCK + END IF - BLOCK - INTEGER :: numnodes, mynode - CALL mp_environ(numnodes, mynode, mp_comm_world) - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11)') & - "DBCSR| MPI: My process id", mynode - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11)') & - "DBCSR| MPI: Number of processes", numnodes - END BLOCK - END IF - - BLOCK - INTEGER :: numthreads, numthreads_max - numthreads = -1 - numthreads_max = -1 -!$OMP PARALLEL DEFAULT(NONE) SHARED(numthreads, numthreads_max) -!$OMP MASTER -!$ numthreads = omp_get_num_threads() -!$ numthreads_max = omp_get_max_threads() -!$OMP END MASTER -!$OMP END PARALLEL - IF (numthreads_max > 0) THEN - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11)') & - "DBCSR| OMP: Current number of threads", numthreads - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11)') & - "DBCSR| OMP: Max number of threads", numthreads_max - ELSE - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,A11)') & - "DBCSR| OMP: Current number of threads", "<N/A>" - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,A11)') & - "DBCSR| OMP: Max number of threads", "<N/A>" - END IF - END BLOCK - - IF (has_acc) THEN - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11)') & - "DBCSR| ACC: Number of devices/node", dbcsr_acc_get_ndevices() - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| ACC: Number of stack-buffers per thread", dbcsr_cfg%accdrv_thread_buffers%val, & - dbcsr_cfg%accdrv_thread_buffers%print_source() - WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & - "DBCSR| ACC: Avoid driver after busy ", dbcsr_cfg%accdrv_avoid_after_busy%val, & - dbcsr_cfg%accdrv_avoid_after_busy%print_source() - WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & - "DBCSR| ACC: Process inhomogeneous stacks", dbcsr_cfg%accdrv_do_inhomogenous%val, & - dbcsr_cfg%accdrv_do_inhomogenous%print_source() - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| ACC: Min. flop for processing", dbcsr_cfg%accdrv_min_flop_process%val, & - dbcsr_cfg%accdrv_min_flop_process%print_source() -#if defined(__DBCSR_ACC_G2G) - WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & - "DBCSR| ACC: Use G2G algorithm", dbcsr_cfg%use_acc_g2g%val, & - dbcsr_cfg%use_acc_g2g%print_source() -#endif - IF (dbcsr_cfg%accdrv_stack_sort%val) THEN - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| ACC: Min. flop for sorting", dbcsr_cfg%accdrv_min_flop_sort%val, & - dbcsr_cfg%accdrv_min_flop_sort%print_source() - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| ACC: Number of binning bins", dbcsr_cfg%accdrv_binning_nbins%val, & - dbcsr_cfg%accdrv_binning_nbins%print_source() - WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & - "DBCSR| ACC: Size of binning bins", dbcsr_cfg%accdrv_binning_binsize%val, & - dbcsr_cfg%accdrv_binning_binsize%print_source() - END IF - WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & - "DBCSR| ACC: GPU backend is enabled", dbcsr_cfg%run_on_gpu%val, dbcsr_cfg%run_on_gpu%print_source() - END IF - - WRITE (UNIT=unit_nr, FMT='(1X,A,T74,ES7.1,A4)') & - "DBCSR| Split modifier for TAS multiplication algorithm", dbcsr_cfg%tas_split_factor%val, & - dbcsr_cfg%tas_split_factor%print_source() + BLOCK + INTEGER :: numthreads, numthreads_max + numthreads = -1 + numthreads_max = -1 +!$OMP PARALLEL DEFAULT(NONE) SHARED(numthreads, numthreads_max) +!$OMP MASTER +!$ numthreads = omp_get_num_threads() +!$ numthreads_max = omp_get_max_threads() +!$OMP END MASTER +!$OMP END PARALLEL + IF (numthreads_max > 0) THEN + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11)') & + "DBCSR| OMP: Current number of threads", numthreads + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11)') & + "DBCSR| OMP: Max number of threads", numthreads_max + ELSE + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,A11)') & + "DBCSR| OMP: Current number of threads", "<N/A>" + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,A11)') & + "DBCSR| OMP: Max number of threads", "<N/A>" + END IF + END BLOCK + + IF (has_acc) THEN + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11)') & + "DBCSR| ACC: Number of devices/node", dbcsr_acc_get_ndevices() + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| ACC: Number of stack-buffers per thread", dbcsr_cfg%accdrv_thread_buffers%val, & + dbcsr_cfg%accdrv_thread_buffers%print_source() + WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & + "DBCSR| ACC: Avoid driver after busy ", dbcsr_cfg%accdrv_avoid_after_busy%val, & + dbcsr_cfg%accdrv_avoid_after_busy%print_source() + WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & + "DBCSR| ACC: Process inhomogeneous stacks", dbcsr_cfg%accdrv_do_inhomogenous%val, & + dbcsr_cfg%accdrv_do_inhomogenous%print_source() + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| ACC: Min. flop for processing", dbcsr_cfg%accdrv_min_flop_process%val, & + dbcsr_cfg%accdrv_min_flop_process%print_source() + WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & + "DBCSR| ACC: Use G2G algorithm", dbcsr_cfg%use_acc_g2g%val, & + dbcsr_cfg%use_acc_g2g%print_source() + IF (dbcsr_cfg%accdrv_stack_sort%val) THEN + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| ACC: Min. flop for sorting", dbcsr_cfg%accdrv_min_flop_sort%val, & + dbcsr_cfg%accdrv_min_flop_sort%print_source() + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| ACC: Number of binning bins", dbcsr_cfg%accdrv_binning_nbins%val, & + dbcsr_cfg%accdrv_binning_nbins%print_source() + WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & + "DBCSR| ACC: Size of binning bins", dbcsr_cfg%accdrv_binning_binsize%val, & + dbcsr_cfg%accdrv_binning_binsize%print_source() + END IF + WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & + "DBCSR| ACC: GPU backend is enabled", dbcsr_cfg%run_on_gpu%val, dbcsr_cfg%run_on_gpu%print_source() + END IF + + WRITE (UNIT=unit_nr, FMT='(1X,A,T74,ES7.1,A4)') & + "DBCSR| Split modifier for TAS multiplication algorithm", dbcsr_cfg%tas_split_factor%val, & + dbcsr_cfg%tas_split_factor%print_source() + + END SUBROUTINE dbcsr_print_config + + FUNCTION get_accdrv_active_device_id() + INTEGER :: get_accdrv_active_device_id + + get_accdrv_active_device_id = accdrv_active_device_id + + END FUNCTION get_accdrv_active_device_id + + SUBROUTINE set_accdrv_active_device_id(in_accdrv_active_device_id) + INTEGER, INTENT(IN) :: in_accdrv_active_device_id - END SUBROUTINE dbcsr_print_config - - FUNCTION get_accdrv_active_device_id() - INTEGER :: get_accdrv_active_device_id - - get_accdrv_active_device_id = accdrv_active_device_id - - END FUNCTION get_accdrv_active_device_id + ! Abort if device already assigned + IF (dbcsr_acc_get_ndevices() .GT. 0) THEN + IF (accdrv_active_device_id .GE. 0) & + DBCSR_ABORT("Accelerator device ID already set") + IF (in_accdrv_active_device_id .LT. 0 .OR. in_accdrv_active_device_id .GE. dbcsr_acc_get_ndevices()) & + DBCSR_ABORT("Invalid accelerator device ID") + accdrv_active_device_id = in_accdrv_active_device_id + END IF - SUBROUTINE set_accdrv_active_device_id(in_accdrv_active_device_id) - INTEGER, INTENT(IN) :: in_accdrv_active_device_id - - ! Abort if device already assigned - IF (dbcsr_acc_get_ndevices() .GT. 0) THEN - IF (accdrv_active_device_id .GE. 0) & - DBCSR_ABORT("Accelerator device ID already set") - IF (in_accdrv_active_device_id .LT. 0 .OR. in_accdrv_active_device_id .GE. dbcsr_acc_get_ndevices()) & - DBCSR_ABORT("Invalid accelerator device ID") - accdrv_active_device_id = in_accdrv_active_device_id - END IF - - END SUBROUTINE set_accdrv_active_device_id - - SUBROUTINE reset_accdrv_active_device_id() - accdrv_active_device_id = default_accdrv_active_device_id - END SUBROUTINE reset_accdrv_active_device_id - - PURE FUNCTION use_acc() - LOGICAL :: use_acc - - IF (has_acc .AND. dbcsr_cfg%run_on_gpu%val) THEN - use_acc = .TRUE. - ELSE - use_acc = .FALSE. - END IF - END FUNCTION use_acc - -END MODULE dbcsr_config + END SUBROUTINE set_accdrv_active_device_id + + SUBROUTINE reset_accdrv_active_device_id() + accdrv_active_device_id = default_accdrv_active_device_id + END SUBROUTINE reset_accdrv_active_device_id + + PURE FUNCTION use_acc() + LOGICAL :: use_acc + + IF (has_acc .AND. dbcsr_cfg%run_on_gpu%val) THEN + use_acc = .TRUE. + ELSE + use_acc = .FALSE. + END IF + END FUNCTION use_acc + +END MODULE dbcsr_config diff --git a/develop/sourcefile/dbcsr_dict.f.html b/develop/sourcefile/dbcsr_dict.f.html index d498530ad5a..4dd59e816a2 100644 --- a/develop/sourcefile/dbcsr_dict.f.html +++ b/develop/sourcefile/dbcsr_dict.f.html @@ -173,7 +173,7 @@

    Source Code

    !! size will be allocated and the items are then copied over. !! This ensures that the dictionary will perform operations in O(1). - USE dbcsr_kinds, ONLY: int_4, int_8, default_string_length + USE dbcsr_kinds, ONLY: default_string_length, int_8, int_4 USE dbcsr_timings_base_type, ONLY: call_stat_type #include "base/dbcsr_base_uses.f90" IMPLICIT NONE diff --git a/develop/sourcefile/dbcsr_list.f.html b/develop/sourcefile/dbcsr_list.f.html index fe54d2d12fa..4595dd7e151 100644 --- a/develop/sourcefile/dbcsr_list.f.html +++ b/develop/sourcefile/dbcsr_list.f.html @@ -176,7 +176,7 @@

    Source Code

    !! dependencies (timer_env_type contains list_routinestat_type and list_callstackentry_type, and !! list_timerenv_type contains timer_env_type) - USE dbcsr_timings_base_type, ONLY: routine_stat_type, routine_report_type, callstack_entry_type + USE dbcsr_timings_base_type, ONLY: routine_stat_type, callstack_entry_type, routine_report_type USE dbcsr_list_callstackentry, ONLY: list_callstackentry_type, list_callstackentry_init, list_callstackentry_push,& # 22 "/__w/dbcsr/dbcsr/src/core/dbcsr_list.F" & list_callstackentry_pop, list_callstackentry_peek, list_callstackentry_insert, list_callstackentry_set,& diff --git a/develop/sourcefile/dbcsr_list_routinereport.f.html b/develop/sourcefile/dbcsr_list_routinereport.f.html index 089b02ef6b5..34e64b61c6f 100644 --- a/develop/sourcefile/dbcsr_list_routinereport.f.html +++ b/develop/sourcefile/dbcsr_list_routinereport.f.html @@ -178,7 +178,7 @@

    Source Code

    !! Have look at list_push(), list_pop() and list_peek(). MODULE dbcsr_list_routinereport - USE dbcsr_timings_base_type, ONLY: callstack_entry_type, routine_report_type, routine_stat_type + USE dbcsr_timings_base_type, ONLY: routine_stat_type, callstack_entry_type, routine_report_type # 21 "/__w/dbcsr/dbcsr/src/core/dbcsr_list_routinereport.F" diff --git a/develop/sourcefile/dbcsr_list_routinestat.f.html b/develop/sourcefile/dbcsr_list_routinestat.f.html index a36c686a7df..743188375d3 100644 --- a/develop/sourcefile/dbcsr_list_routinestat.f.html +++ b/develop/sourcefile/dbcsr_list_routinestat.f.html @@ -178,7 +178,7 @@

    Source Code

    !! Have look at list_push(), list_pop() and list_peek(). MODULE dbcsr_list_routinestat - USE dbcsr_timings_base_type, ONLY: routine_report_type, routine_stat_type, callstack_entry_type + USE dbcsr_timings_base_type, ONLY: routine_report_type, callstack_entry_type, routine_stat_type # 21 "/__w/dbcsr/dbcsr/src/core/dbcsr_list_routinestat.F" diff --git a/develop/sourcefile/dbcsr_mm.f.html b/develop/sourcefile/dbcsr_mm.f.html index 7a636293754..5819280a8ef 100644 --- a/develop/sourcefile/dbcsr_mm.f.html +++ b/develop/sourcefile/dbcsr_mm.f.html @@ -74,7 +74,7 @@

    dbcsr_mm.F
  • 535 statements + title=" 0.8% of total for source files.">539 statements
  • @@ -1060,163 +1060,156 @@

    Source Code

    flop=my_flop, keep_product_data=keep_product_data) ELSE data_type = dbcsr_get_data_type(product_matrix) -#if defined (__DBCSR_ACC_G2G) - IF (data_type .NE. dbcsr_type_real_8 .OR. (.NOT. dbcsr_cfg%use_acc_g2g%val)) THEN - ! If G2G is enabled, norms have to be calculated on the GPU. - ! Since the norms kernel expects only real_8 type data, we - ! avoid using G2G for all other data types - CALL multiply_cannon(m2s_left, m2s_right, product_matrix, & - retain_sparsity=retain_sparsity, & - filter_eps=filter_eps, & - flop=my_flop, keep_product_data=keep_product_data) - ELSE - CALL multiply_cannon_g2g(m2s_left, m2s_right, product_matrix, & - retain_sparsity=retain_sparsity, & - filter_eps=filter_eps, & - flop=my_flop, keep_product_data=keep_product_data) - END IF -#else - CALL multiply_cannon(m2s_left, m2s_right, product_matrix, & - retain_sparsity=retain_sparsity, & - filter_eps=filter_eps, & - flop=my_flop, keep_product_data=keep_product_data) -#endif - CALL dbcsr_finalize(product_matrix, reshuffle=PRESENT(filter_eps) .AND. .NOT. keep_sparsity) - END IF - ! - ! RMA implementation algorithm has to synchronize at the end of each multiplication - comm = dbcsr_mp_group(dbcsr_distribution_mp(dbcsr_distribution(matrix_c))) - IF (PRESENT(flop)) THEN - ! return the average number of flops per MPI rank. - ! Variance (which is fairly large) could be computed as well. - CALL timeset(routineN//"_mpsum_flop", handle2) - numnodes = dbcsr_mp_numnodes(dbcsr_distribution_mp(dbcsr_distribution(matrix_c))) - CALL mp_sum(my_flop, comm) - IF (PRESENT(flop)) THEN - flop = (my_flop + numnodes - 1)/numnodes - END IF - CALL timestop(handle2) - ELSEIF (dbcsr_cfg%use_mpi_rma%val) THEN - CALL mp_isync(comm, request_sync_mult) - END IF - ! - IF (release_tdist) THEN - CALL dbcsr_distribution_no_threads(product_matrix%dist) - ELSEIF (thread_dist_force) THEN - ! Restore matrix_c thread-dist - matrix_c%dist%d%thread_dist = matrix_c_thread_dist - CALL array_release(matrix_left%dist%d%thread_dist) - END IF - IF (transpose_left) CALL dbcsr_release(matrix_left) - IF (transpose_right) CALL dbcsr_release(matrix_right) - ! - CALL dbcsr_release_locals(product_matrix) - ! The index of the product matrix is reset to the CP2K form if it - ! was previously set to the canonical form. - IF (product_reindex) THEN - IF (debug_mod) WRITE (*, *) routineN//" Making CP2K index" - CALL dbcsr_make_index_canonical(product_matrix, cp2k=.TRUE.) - END IF - IF (use_dense_mult) THEN - CALL dbcsr_release(matrix_c) - matrix_c = dbcsr_type() - CALL dbcsr_make_undense(product_matrix, matrix_c, & - old_product_distribution, & - old_product_row_blk_offsets, old_product_col_blk_offsets, & - old_product_row_blk_sizes, old_product_col_blk_sizes, & - m_map, n_map) - CALL dbcsr_release(product_matrix) - CALL array_release(old_product_row_blk_offsets) - CALL array_release(old_product_col_blk_offsets) - CALL array_release(old_product_row_blk_sizes) - CALL array_release(old_product_col_blk_sizes) - CALL dbcsr_distribution_release(old_product_distribution) - ELSE - CALL dbcsr_release(matrix_c) - matrix_c = dbcsr_type() - CALL dbcsr_copy(matrix_c, product_matrix, shallow_data=.TRUE.) - CALL dbcsr_release(product_matrix) + IF (data_type .NE. dbcsr_type_real_8 .OR. (.NOT. dbcsr_cfg%use_acc_g2g%val)) THEN + ! If G2G is enabled, norms have to be calculated on the GPU. + ! Since the norms kernel expects only real_8 type data, we + ! avoid using G2G for all other data types + CALL multiply_cannon(m2s_left, m2s_right, product_matrix, & + retain_sparsity=retain_sparsity, & + filter_eps=filter_eps, & + flop=my_flop, keep_product_data=keep_product_data) + ELSE + CALL multiply_cannon_g2g(m2s_left, m2s_right, product_matrix, & + retain_sparsity=retain_sparsity, & + filter_eps=filter_eps, & + flop=my_flop, keep_product_data=keep_product_data) + END IF + CALL dbcsr_finalize(product_matrix, reshuffle=PRESENT(filter_eps) .AND. .NOT. keep_sparsity) + END IF + ! + ! RMA implementation algorithm has to synchronize at the end of each multiplication + comm = dbcsr_mp_group(dbcsr_distribution_mp(dbcsr_distribution(matrix_c))) + IF (PRESENT(flop)) THEN + ! return the average number of flops per MPI rank. + ! Variance (which is fairly large) could be computed as well. + CALL timeset(routineN//"_mpsum_flop", handle2) + numnodes = dbcsr_mp_numnodes(dbcsr_distribution_mp(dbcsr_distribution(matrix_c))) + CALL mp_sum(my_flop, comm) + IF (PRESENT(flop)) THEN + flop = (my_flop + numnodes - 1)/numnodes + END IF + CALL timestop(handle2) + ELSEIF (dbcsr_cfg%use_mpi_rma%val) THEN + CALL mp_isync(comm, request_sync_mult) + END IF + ! + IF (release_tdist) THEN + CALL dbcsr_distribution_no_threads(product_matrix%dist) + ELSEIF (thread_dist_force) THEN + ! Restore matrix_c thread-dist + matrix_c%dist%d%thread_dist = matrix_c_thread_dist + CALL array_release(matrix_left%dist%d%thread_dist) + END IF + IF (transpose_left) CALL dbcsr_release(matrix_left) + IF (transpose_right) CALL dbcsr_release(matrix_right) + ! + CALL dbcsr_release_locals(product_matrix) + ! The index of the product matrix is reset to the CP2K form if it + ! was previously set to the canonical form. + IF (product_reindex) THEN + IF (debug_mod) WRITE (*, *) routineN//" Making CP2K index" + CALL dbcsr_make_index_canonical(product_matrix, cp2k=.TRUE.) + END IF + IF (use_dense_mult) THEN + CALL dbcsr_release(matrix_c) + matrix_c = dbcsr_type() + CALL dbcsr_make_undense(product_matrix, matrix_c, & + old_product_distribution, & + old_product_row_blk_offsets, old_product_col_blk_offsets, & + old_product_row_blk_sizes, old_product_col_blk_sizes, & + m_map, n_map) + CALL dbcsr_release(product_matrix) + CALL array_release(old_product_row_blk_offsets) + CALL array_release(old_product_col_blk_offsets) + CALL array_release(old_product_row_blk_sizes) + CALL array_release(old_product_col_blk_sizes) + CALL dbcsr_distribution_release(old_product_distribution) + ELSE + CALL dbcsr_release(matrix_c) + matrix_c = dbcsr_type() + CALL dbcsr_copy(matrix_c, product_matrix, shallow_data=.TRUE.) + CALL dbcsr_release(product_matrix) + END IF + ! + IF (.NOT. dbcsr_cfg%use_mpi_rma%val) THEN + CALL dbcsr_destroy_array(m2s_left) + DEALLOCATE (m2s_left) + CALL dbcsr_destroy_array(m2s_right) + DEALLOCATE (m2s_right) END IF ! - IF (.NOT. dbcsr_cfg%use_mpi_rma%val) THEN - CALL dbcsr_destroy_array(m2s_left) - DEALLOCATE (m2s_left) - CALL dbcsr_destroy_array(m2s_right) - DEALLOCATE (m2s_right) + CALL dbcsr_image_dist_release(rdist_left) + CALL dbcsr_image_dist_release(rdist_right) + IF (ab_dense) THEN + CALL array_release(m_map) + CALL array_release(n_map) END IF ! - CALL dbcsr_image_dist_release(rdist_left) - CALL dbcsr_image_dist_release(rdist_right) - IF (ab_dense) THEN - CALL array_release(m_map) - CALL array_release(n_map) - END IF - ! - ! To support the canonical multiply (all non-transposed blocks), - ! blocks may have to be transposed according to the CP2K - ! triangular index. - CALL dbcsr_make_untransposed_blocks(matrix_c) - ! - IF (debug_mod .OR. careful_mod) THEN - IF (debug_mod) & - WRITE (*, *) routineN//" Use dense mult, symm", & - use_dense_mult, ab_dense, dbcsr_has_symmetry(matrix_c) - CALL dbcsr_verify_matrix(matrix_c) - IF (debug_mod) THEN - cs = dbcsr_checksum(matrix_c) - WRITE (*, *) routineN//" Multiplication", & - num_multiplications, " Product checksum", cs - END IF - END IF - - ! This tends to trigger only when all of these conditions are fulfilled: - ! - transa=="T" - ! - matrix_c contains already blocks and beta is not zero - ! - GPU-acceleration is enabled - ! - multiple OpenMP threads are used - IF (INT(matrix_c%nblks, KIND=int_8) > & - INT(SIZE(array_data(matrix_c%row_blk_size)), KIND=int_8)* & - INT(SIZE(array_data(matrix_c%col_blk_size)), KIND=int_8)) & - DBCSR_ABORT("Bug: Matrix contains too many blocks") - output_unit = default_output_unit - num_multiplications = num_multiplications + 1 - CALL timestop(handle) - END SUBROUTINE dbcsr_multiply_generic + ! To support the canonical multiply (all non-transposed blocks), + ! blocks may have to be transposed according to the CP2K + ! triangular index. + CALL dbcsr_make_untransposed_blocks(matrix_c) + ! + IF (debug_mod .OR. careful_mod) THEN + IF (debug_mod) & + WRITE (*, *) routineN//" Use dense mult, symm", & + use_dense_mult, ab_dense, dbcsr_has_symmetry(matrix_c) + CALL dbcsr_verify_matrix(matrix_c) + IF (debug_mod) THEN + cs = dbcsr_checksum(matrix_c) + WRITE (*, *) routineN//" Multiplication", & + num_multiplications, " Product checksum", cs + END IF + END IF + + ! This tends to trigger only when all of these conditions are fulfilled: + ! - transa=="T" + ! - matrix_c contains already blocks and beta is not zero + ! - GPU-acceleration is enabled + ! - multiple OpenMP threads are used + IF (INT(matrix_c%nblks, KIND=int_8) > & + INT(SIZE(array_data(matrix_c%row_blk_size)), KIND=int_8)* & + INT(SIZE(array_data(matrix_c%col_blk_size)), KIND=int_8)) & + DBCSR_ABORT("Bug: Matrix contains too many blocks") + output_unit = default_output_unit + num_multiplications = num_multiplications + 1 + CALL timestop(handle) + END SUBROUTINE dbcsr_multiply_generic + + SUBROUTINE check_openmpi_rma() + ! Check if RMA is used with OpenMPI, if so disabled it + ! (OpenMPI has several bugs with RMA and it does not + ! give any performance benefit) + CHARACTER(LEN=mp_max_library_version_string) :: mpi_library_version + INTEGER :: ipos, resultlen - SUBROUTINE check_openmpi_rma() - ! Check if RMA is used with OpenMPI, if so disabled it - ! (OpenMPI has several bugs with RMA and it does not - ! give any performance benefit) - CHARACTER(LEN=mp_max_library_version_string) :: mpi_library_version - INTEGER :: ipos, resultlen + IF (.NOT. dbcsr_cfg%use_mpi_rma%val) & + RETURN + +#if defined(__DBCSR_OPENMPI_RMA) + RETURN +#endif - IF (.NOT. dbcsr_cfg%use_mpi_rma%val) & - RETURN - -#if defined(__DBCSR_OPENMPI_RMA) - RETURN -#endif - - CALL mp_get_library_version(mpi_library_version, resultlen) - ! ignore failure to obtain the library version string - IF (resultlen .EQ. 0) & - RETURN - - ! check if Open MPI - ipos = INDEX(mpi_library_version(1:resultlen), "Open MPI v") - IF (ipos .EQ. 0) & - RETURN + CALL mp_get_library_version(mpi_library_version, resultlen) + ! ignore failure to obtain the library version string + IF (resultlen .EQ. 0) & + RETURN + + ! check if Open MPI + ipos = INDEX(mpi_library_version(1:resultlen), "Open MPI v") + IF (ipos .EQ. 0) & + RETURN + + CALL dbcsr_warn(__LOCATION__, "You are using OpenMPI: --- "// & + mpi_library_version(1:resultlen)// & + " --- We disable RMA to prevent errors. "// & + "Please install MPICH version or use __DBCSR_OPENMPI_RMA to force the "// & + "execution. ") + CALL dbcsr_set_config(use_mpi_rma=.FALSE.) - CALL dbcsr_warn(__LOCATION__, "You are using OpenMPI: --- "// & - mpi_library_version(1:resultlen)// & - " --- We disable RMA to prevent errors. "// & - "Please install MPICH version or use __DBCSR_OPENMPI_RMA to force the "// & - "execution. ") - CALL dbcsr_set_config(use_mpi_rma=.FALSE.) - - END SUBROUTINE check_openmpi_rma - -END MODULE dbcsr_mm + END SUBROUTINE check_openmpi_rma + +END MODULE dbcsr_mm diff --git a/develop/sourcefile/dbcsr_mm_accdrv.f.html b/develop/sourcefile/dbcsr_mm_accdrv.f.html index f1a5d4ad565..291ca025895 100644 --- a/develop/sourcefile/dbcsr_mm_accdrv.f.html +++ b/develop/sourcefile/dbcsr_mm_accdrv.f.html @@ -74,7 +74,7 @@

    dbcsr_mm_accdrv.F
  • 292 statements + title=" 0.4% of total for source files.">295 statements
  • @@ -685,13 +685,16 @@

    Source Code

    IF (success) THEN CALL acc_event_record(stackbuf%calculated, stream=stackbuf%stream) ELSE - this%do_gpu_c_redux = .TRUE. - END IF - - CALL timestop(error_handle) - END SUBROUTINE dbcsr_mm_accdrv_process + IF (dbcsr_cfg%use_acc_g2g%val) THEN + DBCSR_ABORT("MPI G2G requires all kernels to be evaluated on the GPU!") + END IF + this%do_gpu_c_redux = .TRUE. + END IF -END MODULE dbcsr_mm_accdrv + CALL timestop(error_handle) + END SUBROUTINE dbcsr_mm_accdrv_process + +END MODULE dbcsr_mm_accdrv diff --git a/develop/sourcefile/dbcsr_tensor.f.html b/develop/sourcefile/dbcsr_tensor.f.html index 823eab8162b..0ed7571ff7b 100644 --- a/develop/sourcefile/dbcsr_tensor.f.html +++ b/develop/sourcefile/dbcsr_tensor.f.html @@ -185,7 +185,7 @@

    Source Code

    dbcsr_type, dbcsr_iterator_type, dbcsr_iterator_blocks_left, & dbcsr_iterator_next_block, dbcsr_iterator_start, dbcsr_iterator_stop, & dbcsr_transpose, dbcsr_no_transpose, dbcsr_scalar, dbcsr_put_block, & - dbcsr_type_real_4, dbcsr_type_complex_8, dbcsr_type_complex_4, dbcsr_type_real_8, dbcsr_clear, & + dbcsr_type_complex_8, dbcsr_type_complex_4, dbcsr_type_real_8, dbcsr_type_real_4, dbcsr_clear, & dbcsr_release, dbcsr_desymmetrize, dbcsr_has_symmetry USE dbcsr_tas_types, ONLY: & dbcsr_tas_split_info diff --git a/develop/sourcefile/dbcsr_tensor_api_c.f.html b/develop/sourcefile/dbcsr_tensor_api_c.f.html index 30964390688..d833be64442 100644 --- a/develop/sourcefile/dbcsr_tensor_api_c.f.html +++ b/develop/sourcefile/dbcsr_tensor_api_c.f.html @@ -179,7 +179,7 @@

    Source Code

    USE dbcsr_allocate_wrap, ONLY: allocate_any USE dbcsr_tensor_api USE dbcsr_kinds, ONLY: & - real_8, real_4, default_string_length, int_8 + real_4, real_8, default_string_length, int_8 USE dbcsr_data_types, ONLY: dbcsr_scalar_type USE dbcsr_data_methods, ONLY: dbcsr_scalar USE dbcsr_machine, ONLY: default_output_unit diff --git a/develop/sourcefile/dbcsr_tensor_block.f.html b/develop/sourcefile/dbcsr_tensor_block.f.html index fc88bdb9007..ad15213382f 100644 --- a/develop/sourcefile/dbcsr_tensor_block.f.html +++ b/develop/sourcefile/dbcsr_tensor_block.f.html @@ -175,7 +175,7 @@

    Source Code

    USE dbcsr_allocate_wrap, ONLY: & allocate_any USE dbcsr_api, ONLY: & - dbcsr_type_complex_4, dbcsr_type_real_4, dbcsr_type_complex_8, dbcsr_type_real_8, dbcsr_iterator_type, & + dbcsr_type_complex_8, dbcsr_type_real_4, dbcsr_type_complex_4, dbcsr_type_real_8, dbcsr_iterator_type, & dbcsr_iterator_next_block, dbcsr_iterator_start, dbcsr_iterator_stop, dbcsr_type, & dbcsr_reserve_blocks, dbcsr_scalar_type, dbcsr_finalize, dbcsr_get_num_blocks, & dbcsr_type_no_symmetry, dbcsr_desymmetrize, dbcsr_release, dbcsr_has_symmetry @@ -185,7 +185,7 @@

    Source Code

    dbcsr_tas_iterator_next_block, dbcsr_tas_iterator_blocks_left, dbcsr_tas_iterator_start, & dbcsr_tas_iterator_stop, dbcsr_tas_get_block_p, dbcsr_tas_put_block, dbcsr_tas_reserve_blocks USE dbcsr_kinds, ONLY: & - real_8, real_4, int_8 + real_4, real_8, int_8 USE dbcsr_tensor_index, ONLY: & nd_to_2d_mapping, ndims_mapping, get_nd_indices_tensor, destroy_nd_to_2d_mapping, get_2d_indices_tensor USE dbcsr_array_list_methods, ONLY: & diff --git a/develop/sourcefile/dbcsr_tensor_reshape.f.html b/develop/sourcefile/dbcsr_tensor_reshape.f.html index ee2f1e3e6da..59dc9b1dd70 100644 --- a/develop/sourcefile/dbcsr_tensor_reshape.f.html +++ b/develop/sourcefile/dbcsr_tensor_reshape.f.html @@ -187,7 +187,7 @@

    Source Code

    dbcsr_t_clear USE dbcsr_kinds, ONLY: default_string_length USE dbcsr_kinds, ONLY: real_4, real_8 - USE dbcsr_api, ONLY: dbcsr_type_real_8, dbcsr_type_complex_4, dbcsr_type_complex_8, dbcsr_type_real_4 + USE dbcsr_api, ONLY: dbcsr_type_real_4, dbcsr_type_real_8, dbcsr_type_complex_4, dbcsr_type_complex_8 USE dbcsr_mpiwrap, ONLY: mp_alltoall, & mp_environ, & mp_irecv, & diff --git a/develop/sourcefile/dbcsr_tensor_split.f.html b/develop/sourcefile/dbcsr_tensor_split.f.html index ffff0940eb8..78e759b946f 100644 --- a/develop/sourcefile/dbcsr_tensor_split.f.html +++ b/develop/sourcefile/dbcsr_tensor_split.f.html @@ -202,7 +202,7 @@

    Source Code

    ndims_matrix_column, & dbcsr_t_filter, & dbcsr_t_copy_contraction_storage - USE dbcsr_api, ONLY: dbcsr_type_complex_8, dbcsr_type_real_8, dbcsr_type_complex_4, dbcsr_type_real_4 + USE dbcsr_api, ONLY: dbcsr_type_real_4, dbcsr_type_complex_4, dbcsr_type_real_8, dbcsr_type_complex_8 USE dbcsr_kinds, ONLY: real_8, real_4, dp #include "base/dbcsr_base_uses.f90" diff --git a/develop/sourcefile/dbcsr_tensor_test.f.html b/develop/sourcefile/dbcsr_tensor_test.f.html index a24d90efcfa..b69bf9c3631 100644 --- a/develop/sourcefile/dbcsr_tensor_test.f.html +++ b/develop/sourcefile/dbcsr_tensor_test.f.html @@ -172,7 +172,7 @@

    Source Code

    # 15 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_test.F" # 16 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_test.F" - USE dbcsr_api, ONLY: dbcsr_type_complex_4, dbcsr_type_complex_8, dbcsr_type_real_4, dbcsr_type_real_8 + USE dbcsr_api, ONLY: dbcsr_type_complex_4, dbcsr_type_real_8, dbcsr_type_complex_8, dbcsr_type_real_4 USE dbcsr_tensor, ONLY: & dbcsr_t_copy, dbcsr_t_get_block, dbcsr_t_iterator_type, dbcsr_t_iterator_blocks_left, & dbcsr_t_iterator_next_block, dbcsr_t_iterator_start, dbcsr_t_iterator_stop, & diff --git a/develop/sourcefile/dbcsr_tensor_types.f.html b/develop/sourcefile/dbcsr_tensor_types.f.html index 3e2e11d3f2f..53708739560 100644 --- a/develop/sourcefile/dbcsr_tensor_types.f.html +++ b/develop/sourcefile/dbcsr_tensor_types.f.html @@ -178,7 +178,7 @@

    Source Code

    sizes_of_arrays, sum_of_arrays, array_sublist, get_arrays, get_ith_array, array_eq_i USE dbcsr_api, ONLY: & dbcsr_distribution_get, dbcsr_distribution_type, dbcsr_get_info, dbcsr_type, & - dbcsr_type_real_8, dbcsr_type_complex_4, dbcsr_type_complex_8, dbcsr_type_real_4 + dbcsr_type_complex_4, dbcsr_type_real_4, dbcsr_type_real_8, dbcsr_type_complex_8 USE dbcsr_kinds, ONLY: & real_8, real_4, & default_string_length diff --git a/develop/sourcefile/libsmm_acc_timer_multiply.cpp.html b/develop/sourcefile/libsmm_acc_timer_multiply.cpp.html index fc205628535..4b957e1ae49 100644 --- a/develop/sourcefile/libsmm_acc_timer_multiply.cpp.html +++ b/develop/sourcefile/libsmm_acc_timer_multiply.cpp.html @@ -1842,1006 +1842,1006 @@

    Source Code

    } else if (argv[1] == std::string("predicted")) { libsmm_acc_triplets = { - { 4, 11, 20}, - { 4, 14, 9}, - { 4, 14, 26}, - { 4, 15, 11}, - { 4, 18, 43}, - { 4, 19, 10}, - { 4, 21, 9}, - { 4, 26, 18}, - { 4, 29, 36}, - { 4, 32, 18}, - { 4, 32, 39}, - { 4, 34, 22}, - { 4, 36, 14}, - { 4, 39, 30}, - { 4, 39, 39}, - { 4, 40, 37}, - { 4, 40, 40}, - { 5, 11, 14}, - { 5, 12, 15}, - { 5, 17, 25}, - { 5, 22, 31}, - { 5, 23, 8}, - { 5, 27, 40}, - { 5, 29, 8}, - { 5, 33, 27}, - { 5, 34, 20}, - { 5, 34, 41}, - { 5, 35, 34}, - { 5, 36, 20}, - { 5, 36, 26}, - { 5, 36, 43}, - { 5, 37, 5}, - { 5, 37, 12}, - { 5, 37, 19}, - { 5, 37, 24}, - { 5, 39, 39}, - { 5, 40, 39}, - { 5, 41, 33}, - { 5, 41, 39}, - { 5, 45, 38}, - { 6, 5, 11}, - { 6, 7, 43}, - { 6, 8, 15}, - { 6, 10, 36}, - { 6, 11, 20}, - { 6, 14, 40}, - { 6, 15, 24}, - { 6, 18, 38}, - { 6, 21, 35}, - { 6, 23, 9}, - { 6, 26, 28}, - { 6, 28, 28}, - { 6, 29, 21}, - { 6, 31, 45}, - { 6, 39, 16}, - { 6, 40, 23}, - { 6, 43, 27}, - { 7, 7, 29}, - { 7, 7, 35}, - { 7, 8, 22}, - { 7, 9, 22}, - { 7, 10, 5}, - { 7, 10, 38}, - { 7, 15, 11}, - { 7, 15, 41}, - { 7, 16, 25}, - { 7, 16, 28}, - { 7, 18, 4}, - { 7, 18, 45}, - { 7, 19, 5}, - { 7, 22, 5}, - { 7, 24, 32}, - { 7, 25, 44}, - { 7, 26, 6}, - { 7, 28, 11}, - { 7, 28, 24}, - { 7, 28, 36}, - { 7, 31, 13}, - { 7, 31, 24}, - { 7, 31, 36}, - { 7, 32, 38}, - { 7, 34, 21}, - { 7, 35, 34}, - { 7, 40, 29}, - { 7, 41, 5}, - { 7, 41, 18}, - { 7, 43, 8}, - { 7, 43, 18}, - { 7, 43, 35}, - { 7, 45, 20}, - { 8, 4, 40}, - { 8, 4, 42}, - { 8, 5, 26}, - { 8, 10, 19}, - { 8, 11, 40}, - { 8, 12, 19}, - { 8, 15, 41}, - { 8, 17, 12}, - { 8, 18, 11}, - { 8, 22, 32}, - { 8, 24, 29}, - { 8, 27, 22}, - { 8, 27, 36}, - { 8, 29, 11}, - { 8, 29, 22}, - { 8, 31, 39}, - { 8, 32, 43}, - { 8, 34, 27}, - { 8, 38, 14}, - { 8, 39, 14}, - { 8, 39, 43}, - { 8, 42, 27}, - { 9, 4, 43}, - { 9, 6, 33}, - { 9, 11, 5}, - { 9, 11, 41}, - { 9, 13, 8}, - { 9, 14, 26}, - { 9, 15, 10}, - { 9, 15, 32}, - { 9, 17, 5}, - { 9, 17, 9}, - { 9, 19, 38}, - { 9, 22, 5}, - { 9, 24, 12}, - { 9, 25, 40}, - { 9, 26, 38}, - { 9, 28, 24}, - { 9, 28, 29}, - { 9, 29, 22}, - { 9, 30, 36}, - { 9, 33, 29}, - { 9, 39, 6}, - { 9, 40, 10}, - { 9, 40, 36}, - { 9, 45, 23}, - {10, 4, 26}, - {10, 5, 39}, - {10, 6, 15}, - {10, 7, 35}, - {10, 11, 9}, - {10, 11, 26}, - {10, 12, 35}, - {10, 14, 26}, - {10, 18, 11}, - {10, 21, 45}, - {10, 22, 9}, - {10, 24, 10}, - {10, 25, 44}, - {10, 25, 45}, - {10, 29, 26}, - {10, 31, 40}, - {10, 32, 43}, - {10, 33, 13}, - {10, 33, 29}, - {10, 33, 37}, - {10, 37, 18}, - {10, 38, 42}, - {10, 40, 14}, - {10, 42, 36}, - {11, 4, 45}, - {11, 7, 45}, - {11, 9, 10}, - {11, 9, 28}, - {11, 11, 24}, - {11, 12, 10}, - {11, 12, 21}, - {11, 17, 13}, - {11, 17, 15}, - {11, 18, 36}, - {11, 18, 38}, - {11, 19, 14}, - {11, 20, 9}, - {11, 22, 11}, - {11, 22, 30}, - {11, 24, 11}, - {11, 24, 26}, - {11, 24, 30}, - {11, 26, 30}, - {11, 29, 7}, - {11, 29, 23}, - {11, 33, 14}, - {11, 34, 28}, - {11, 36, 7}, - {11, 37, 12}, - {11, 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    Source Code

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    Source Code

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    Source Code

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    Source Code

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{45, 7, 28}, + {45, 7, 32}, + {45, 7, 45}, + {45, 8, 36}, + {45, 9, 4}, + {45, 9, 5}, + {45, 9, 7}, + {45, 9, 9}, + {45, 9, 13}, + {45, 9, 25}, + {45, 9, 26}, + {45, 9, 28}, + {45, 9, 32}, + {45, 9, 45}, + {45, 11, 4}, + {45, 11, 43}, + {45, 13, 4}, + {45, 13, 5}, + {45, 13, 7}, + {45, 13, 9}, + {45, 13, 13}, + {45, 13, 22}, + {45, 13, 23}, + {45, 13, 25}, + {45, 13, 26}, + {45, 13, 28}, + {45, 13, 32}, + {45, 13, 45}, + {45, 18, 30}, + {45, 23, 18}, + {45, 25, 4}, + {45, 25, 5}, + {45, 25, 7}, + {45, 25, 9}, + {45, 25, 13}, + {45, 25, 25}, + {45, 25, 26}, + {45, 25, 28}, + {45, 25, 32}, + {45, 25, 45}, + {45, 26, 4}, + {45, 26, 5}, + {45, 26, 7}, + {45, 26, 9}, + {45, 26, 13}, + {45, 26, 25}, + {45, 26, 26}, + {45, 26, 28}, + {45, 26, 32}, + {45, 26, 45}, + {45, 28, 4}, + {45, 28, 5}, + {45, 28, 7}, + {45, 28, 9}, + {45, 28, 13}, + {45, 28, 25}, + {45, 28, 26}, + {45, 28, 28}, + {45, 28, 32}, + {45, 28, 45}, + {45, 32, 4}, + {45, 32, 5}, + {45, 32, 7}, + {45, 32, 9}, + {45, 32, 13}, + {45, 32, 25}, + {45, 32, 26}, + {45, 32, 28}, + {45, 32, 32}, + {45, 32, 37}, {45, 32, 45}, - {45, 36, 41}, - {45, 37, 9}, - {45, 38, 9}, - {45, 38, 12}, - {45, 40, 38}, - {45, 43, 11}, - {45, 43, 14}, - {45, 44, 30}, - {45, 44, 36}, + {45, 33, 38}, + {45, 34, 44}, + {45, 35, 38}, + {45, 35, 42}, + {45, 36, 17}, + {45, 36, 36}, + {45, 43, 23}, + {45, 43, 35}, + {45, 44, 22}, {45, 45, 4}, {45, 45, 5}, {45, 45, 7}, diff --git a/develop/src/dbcsr_allocate_wrap.F b/develop/src/dbcsr_allocate_wrap.F index 332ea33ed5c..7062a06af16 100644 --- a/develop/src/dbcsr_allocate_wrap.F +++ b/develop/src/dbcsr_allocate_wrap.F @@ -21,7 +21,7 @@ MODULE dbcsr_allocate_wrap # 17 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_allocate_wrap.F" 2 # 18 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_allocate_wrap.F" - USE dbcsr_kinds, ONLY: real_4, real_8 + USE dbcsr_kinds, ONLY: real_8, real_4 #include "base/dbcsr_base_uses.f90" IMPLICIT NONE diff --git a/develop/src/dbcsr_array_sort.F b/develop/src/dbcsr_array_sort.F index 4115dfd30ea..259a566bd95 100644 --- a/develop/src/dbcsr_array_sort.F +++ b/develop/src/dbcsr_array_sort.F @@ -22,7 +22,7 @@ MODULE dbcsr_array_sort !! DBCSR: !! Please use the interface defined in dbcsr_toollib.F for calling sort(). - USE dbcsr_kinds, ONLY: real_4, int_4, int_8, real_8 + USE dbcsr_kinds, ONLY: real_4, int_8, real_8, int_4 IMPLICIT NONE PRIVATE diff --git a/develop/src/dbcsr_config.F b/develop/src/dbcsr_config.F index a19ce0a1a26..c77178f45a8 100644 --- a/develop/src/dbcsr_config.F +++ b/develop/src/dbcsr_config.F @@ -178,9 +178,7 @@ MODULE dbcsr_config SET_PARAMETER_DEFAULT(USE_MEMPOOLS_CPU, CONF_PAR_LOGICAL, .FALSE.) SET_PARAMETER_DEFAULT(USE_MPI_ALLOCATOR, CONF_PAR_LOGICAL, .FALSE.) SET_PARAMETER_DEFAULT(TAS_SPLIT_FACTOR, CONF_PAR_REAL, 1.0_real_8) -#if defined(__DBCSR_ACC_G2G) - SET_PARAMETER_DEFAULT(USE_ACC_G2G, CONF_PAR_LOGICAL, .TRUE.) -#endif + SET_PARAMETER_DEFAULT(USE_ACC_G2G, CONF_PAR_LOGICAL, .FALSE.) END TYPE dbcsr_config_type TYPE(dbcsr_config_type), PROTECTED, SAVE :: dbcsr_cfg = dbcsr_config_type() ! defaults @@ -415,11 +413,7 @@ SUBROUTINE dbcsr_set_config( & CALL dbcsr_cfg%accdrv_binning_binsize%set(accdrv_binning_binsize) CALL dbcsr_cfg%use_mempools_cpu%set(use_mempools_cpu) CALL dbcsr_cfg%tas_split_factor%set(tas_split_factor) -#if defined(__DBCSR_ACC_G2G) CALL dbcsr_cfg%use_acc_g2g%set(use_acc_g2g) -#else - MARK_USED(use_acc_g2g) -#endif IF (0 == nthreads) THEN nthreads = 1 @@ -518,11 +512,7 @@ SUBROUTINE dbcsr_get_default_config( & IF (PRESENT(use_mempools_cpu)) use_mempools_cpu = dbcsr_cfg%use_mempools_cpu%defval IF (PRESENT(nstacks)) nstacks = dbcsr_cfg%n_stacks%defval IF (PRESENT(tas_split_factor)) tas_split_factor = dbcsr_cfg%tas_split_factor%defval -#if defined(__DBCSR_ACC_G2G) IF (PRESENT(use_acc_g2g)) use_acc_g2g = dbcsr_cfg%use_acc_g2g%defval -#else - MARK_USED(use_acc_g2g) -#endif END SUBROUTINE dbcsr_get_default_config @@ -651,11 +641,9 @@ SUBROUTINE dbcsr_print_config(unit_nr) WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & "DBCSR| ACC: Min. flop for processing", dbcsr_cfg%accdrv_min_flop_process%val, & dbcsr_cfg%accdrv_min_flop_process%print_source() -#if defined(__DBCSR_ACC_G2G) WRITE (UNIT=unit_nr, FMT='(1X,A,T80,L1,A4)') & "DBCSR| ACC: Use G2G algorithm", dbcsr_cfg%use_acc_g2g%val, & dbcsr_cfg%use_acc_g2g%print_source() -#endif IF (dbcsr_cfg%accdrv_stack_sort%val) THEN WRITE (UNIT=unit_nr, FMT='(1X,A,T70,I11,A4)') & "DBCSR| ACC: Min. flop for sorting", dbcsr_cfg%accdrv_min_flop_sort%val, & diff --git a/develop/src/dbcsr_dict.F b/develop/src/dbcsr_dict.F index ea2826aa80f..326b77bacc7 100644 --- a/develop/src/dbcsr_dict.F +++ b/develop/src/dbcsr_dict.F @@ -20,7 +20,7 @@ MODULE dbcsr_dict !! size will be allocated and the items are then copied over. !! This ensures that the dictionary will perform operations in O(1). - USE dbcsr_kinds, ONLY: int_4, int_8, default_string_length + USE dbcsr_kinds, ONLY: default_string_length, int_8, int_4 USE dbcsr_timings_base_type, ONLY: call_stat_type #include "base/dbcsr_base_uses.f90" IMPLICIT NONE diff --git a/develop/src/dbcsr_list.F b/develop/src/dbcsr_list.F index b042cb1ab54..2cb7290fa15 100644 --- a/develop/src/dbcsr_list.F +++ b/develop/src/dbcsr_list.F @@ -23,7 +23,7 @@ MODULE dbcsr_list !! dependencies (timer_env_type contains list_routinestat_type and list_callstackentry_type, and !! list_timerenv_type contains timer_env_type) - USE dbcsr_timings_base_type, ONLY: routine_stat_type, routine_report_type, callstack_entry_type + USE dbcsr_timings_base_type, ONLY: routine_stat_type, callstack_entry_type, routine_report_type USE dbcsr_list_callstackentry, ONLY: list_callstackentry_type, list_callstackentry_init, list_callstackentry_push,& # 22 "/__w/dbcsr/dbcsr/src/core/dbcsr_list.F" & list_callstackentry_pop, list_callstackentry_peek, list_callstackentry_insert, list_callstackentry_set,& diff --git a/develop/src/dbcsr_list_routinereport.F b/develop/src/dbcsr_list_routinereport.F index 7b83ec2f41e..2a1b7cf71de 100644 --- a/develop/src/dbcsr_list_routinereport.F +++ b/develop/src/dbcsr_list_routinereport.F @@ -21,7 +21,7 @@ !! Have look at list_push(), list_pop() and list_peek(). MODULE dbcsr_list_routinereport - USE dbcsr_timings_base_type, ONLY: callstack_entry_type, routine_report_type, routine_stat_type + USE dbcsr_timings_base_type, ONLY: routine_stat_type, callstack_entry_type, routine_report_type # 21 "/__w/dbcsr/dbcsr/src/core/dbcsr_list_routinereport.F" diff --git a/develop/src/dbcsr_list_routinestat.F b/develop/src/dbcsr_list_routinestat.F index 7d461133e55..8dd496d7465 100644 --- a/develop/src/dbcsr_list_routinestat.F +++ b/develop/src/dbcsr_list_routinestat.F @@ -21,7 +21,7 @@ !! Have look at list_push(), list_pop() and list_peek(). MODULE dbcsr_list_routinestat - USE dbcsr_timings_base_type, ONLY: routine_report_type, routine_stat_type, callstack_entry_type + USE dbcsr_timings_base_type, ONLY: routine_report_type, callstack_entry_type, routine_stat_type # 21 "/__w/dbcsr/dbcsr/src/core/dbcsr_list_routinestat.F" diff --git a/develop/src/dbcsr_mm.F b/develop/src/dbcsr_mm.F index 2a8e05f40ac..e4993a130a5 100644 --- a/develop/src/dbcsr_mm.F +++ b/develop/src/dbcsr_mm.F @@ -907,7 +907,6 @@ SUBROUTINE dbcsr_multiply_generic(transa, transb, & flop=my_flop, keep_product_data=keep_product_data) ELSE data_type = dbcsr_get_data_type(product_matrix) -#if defined (__DBCSR_ACC_G2G) IF (data_type .NE. dbcsr_type_real_8 .OR. (.NOT. dbcsr_cfg%use_acc_g2g%val)) THEN ! If G2G is enabled, norms have to be calculated on the GPU. ! Since the norms kernel expects only real_8 type data, we @@ -922,12 +921,6 @@ SUBROUTINE dbcsr_multiply_generic(transa, transb, & filter_eps=filter_eps, & flop=my_flop, keep_product_data=keep_product_data) END IF -#else - CALL multiply_cannon(m2s_left, m2s_right, product_matrix, & - retain_sparsity=retain_sparsity, & - filter_eps=filter_eps, & - flop=my_flop, keep_product_data=keep_product_data) -#endif CALL dbcsr_finalize(product_matrix, reshuffle=PRESENT(filter_eps) .AND. .NOT. keep_sparsity) END IF ! diff --git a/develop/src/dbcsr_mm_accdrv.F b/develop/src/dbcsr_mm_accdrv.F index 2a781bf5aa2..7b66b2098c8 100644 --- a/develop/src/dbcsr_mm_accdrv.F +++ b/develop/src/dbcsr_mm_accdrv.F @@ -532,6 +532,9 @@ SUBROUTINE dbcsr_mm_accdrv_process(this, left, right, params, stack_size, & IF (success) THEN CALL acc_event_record(stackbuf%calculated, stream=stackbuf%stream) ELSE + IF (dbcsr_cfg%use_acc_g2g%val) THEN + DBCSR_ABORT("MPI G2G requires all kernels to be evaluated on the GPU!") + END IF this%do_gpu_c_redux = .TRUE. END IF diff --git a/develop/src/dbcsr_tensor.F b/develop/src/dbcsr_tensor.F index be323d1f102..50c43e825cc 100644 --- a/develop/src/dbcsr_tensor.F +++ b/develop/src/dbcsr_tensor.F @@ -32,7 +32,7 @@ MODULE dbcsr_tensor dbcsr_type, dbcsr_iterator_type, dbcsr_iterator_blocks_left, & dbcsr_iterator_next_block, dbcsr_iterator_start, dbcsr_iterator_stop, & dbcsr_transpose, dbcsr_no_transpose, dbcsr_scalar, dbcsr_put_block, & - dbcsr_type_real_4, dbcsr_type_complex_8, dbcsr_type_complex_4, dbcsr_type_real_8, dbcsr_clear, & + dbcsr_type_complex_8, dbcsr_type_complex_4, dbcsr_type_real_8, dbcsr_type_real_4, dbcsr_clear, & dbcsr_release, dbcsr_desymmetrize, dbcsr_has_symmetry USE dbcsr_tas_types, ONLY: & dbcsr_tas_split_info diff --git a/develop/src/dbcsr_tensor_api_c.F b/develop/src/dbcsr_tensor_api_c.F index 5540ff64acc..e6fa661753f 100644 --- a/develop/src/dbcsr_tensor_api_c.F +++ b/develop/src/dbcsr_tensor_api_c.F @@ -26,7 +26,7 @@ MODULE dbcsr_tensor_api_c USE dbcsr_allocate_wrap, ONLY: allocate_any USE dbcsr_tensor_api USE dbcsr_kinds, ONLY: & - real_8, real_4, default_string_length, int_8 + real_4, real_8, default_string_length, int_8 USE dbcsr_data_types, ONLY: dbcsr_scalar_type USE dbcsr_data_methods, ONLY: dbcsr_scalar USE dbcsr_machine, ONLY: default_output_unit diff --git a/develop/src/dbcsr_tensor_block.F b/develop/src/dbcsr_tensor_block.F index e2138e6768a..b85ed72d171 100644 --- a/develop/src/dbcsr_tensor_block.F +++ b/develop/src/dbcsr_tensor_block.F @@ -22,7 +22,7 @@ MODULE dbcsr_tensor_block USE dbcsr_allocate_wrap, ONLY: & allocate_any USE dbcsr_api, ONLY: & - dbcsr_type_complex_4, dbcsr_type_real_4, dbcsr_type_complex_8, dbcsr_type_real_8, dbcsr_iterator_type, & + dbcsr_type_complex_8, dbcsr_type_real_4, dbcsr_type_complex_4, dbcsr_type_real_8, dbcsr_iterator_type, & dbcsr_iterator_next_block, dbcsr_iterator_start, dbcsr_iterator_stop, dbcsr_type, & dbcsr_reserve_blocks, dbcsr_scalar_type, dbcsr_finalize, dbcsr_get_num_blocks, & dbcsr_type_no_symmetry, dbcsr_desymmetrize, dbcsr_release, dbcsr_has_symmetry @@ -32,7 +32,7 @@ MODULE dbcsr_tensor_block dbcsr_tas_iterator_next_block, dbcsr_tas_iterator_blocks_left, dbcsr_tas_iterator_start, & dbcsr_tas_iterator_stop, dbcsr_tas_get_block_p, dbcsr_tas_put_block, dbcsr_tas_reserve_blocks USE dbcsr_kinds, ONLY: & - real_8, real_4, int_8 + real_4, real_8, int_8 USE dbcsr_tensor_index, ONLY: & nd_to_2d_mapping, ndims_mapping, get_nd_indices_tensor, destroy_nd_to_2d_mapping, get_2d_indices_tensor USE dbcsr_array_list_methods, ONLY: & diff --git a/develop/src/dbcsr_tensor_reshape.F b/develop/src/dbcsr_tensor_reshape.F index bf13be4aeb6..c8c62cd5bef 100644 --- a/develop/src/dbcsr_tensor_reshape.F +++ b/develop/src/dbcsr_tensor_reshape.F @@ -34,7 +34,7 @@ MODULE dbcsr_tensor_reshape dbcsr_t_clear USE dbcsr_kinds, ONLY: default_string_length USE dbcsr_kinds, ONLY: real_4, real_8 - USE dbcsr_api, ONLY: dbcsr_type_real_8, dbcsr_type_complex_4, dbcsr_type_complex_8, dbcsr_type_real_4 + USE dbcsr_api, ONLY: dbcsr_type_real_4, dbcsr_type_real_8, dbcsr_type_complex_4, dbcsr_type_complex_8 USE dbcsr_mpiwrap, ONLY: mp_alltoall, & mp_environ, & mp_irecv, & diff --git a/develop/src/dbcsr_tensor_split.F b/develop/src/dbcsr_tensor_split.F index a603251f5ae..12a3aa872e1 100644 --- a/develop/src/dbcsr_tensor_split.F +++ b/develop/src/dbcsr_tensor_split.F @@ -49,7 +49,7 @@ MODULE dbcsr_tensor_split ndims_matrix_column, & dbcsr_t_filter, & dbcsr_t_copy_contraction_storage - USE dbcsr_api, ONLY: dbcsr_type_complex_8, dbcsr_type_real_8, dbcsr_type_complex_4, dbcsr_type_real_4 + USE dbcsr_api, ONLY: dbcsr_type_real_4, dbcsr_type_complex_4, dbcsr_type_real_8, dbcsr_type_complex_8 USE dbcsr_kinds, ONLY: real_8, real_4, dp #include "base/dbcsr_base_uses.f90" diff --git a/develop/src/dbcsr_tensor_test.F b/develop/src/dbcsr_tensor_test.F index 34a1b1c42a2..adf1ee8200c 100644 --- a/develop/src/dbcsr_tensor_test.F +++ b/develop/src/dbcsr_tensor_test.F @@ -19,7 +19,7 @@ MODULE dbcsr_tensor_test # 15 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_test.F" # 16 "/__w/dbcsr/dbcsr/src/tensors/dbcsr_tensor_test.F" - USE dbcsr_api, ONLY: dbcsr_type_complex_4, dbcsr_type_complex_8, dbcsr_type_real_4, dbcsr_type_real_8 + USE dbcsr_api, ONLY: dbcsr_type_complex_4, dbcsr_type_real_8, dbcsr_type_complex_8, dbcsr_type_real_4 USE dbcsr_tensor, ONLY: & dbcsr_t_copy, dbcsr_t_get_block, dbcsr_t_iterator_type, dbcsr_t_iterator_blocks_left, & dbcsr_t_iterator_next_block, dbcsr_t_iterator_start, dbcsr_t_iterator_stop, & diff --git a/develop/src/dbcsr_tensor_types.F b/develop/src/dbcsr_tensor_types.F index e5909ebbf6f..5bba20409b6 100644 --- a/develop/src/dbcsr_tensor_types.F +++ b/develop/src/dbcsr_tensor_types.F @@ -25,7 +25,7 @@ MODULE dbcsr_tensor_types sizes_of_arrays, sum_of_arrays, array_sublist, get_arrays, get_ith_array, array_eq_i USE dbcsr_api, ONLY: & dbcsr_distribution_get, dbcsr_distribution_type, dbcsr_get_info, dbcsr_type, & - dbcsr_type_real_8, dbcsr_type_complex_4, dbcsr_type_complex_8, dbcsr_type_real_4 + dbcsr_type_complex_4, dbcsr_type_real_4, dbcsr_type_real_8, dbcsr_type_complex_8 USE dbcsr_kinds, ONLY: & real_8, real_4, & default_string_length diff --git a/develop/src/libsmm_acc_timer_multiply.cpp b/develop/src/libsmm_acc_timer_multiply.cpp index be6005aafec..f0877fcaccd 100644 --- a/develop/src/libsmm_acc_timer_multiply.cpp +++ b/develop/src/libsmm_acc_timer_multiply.cpp @@ -1704,1006 +1704,1006 @@ int main(int argc, char* argv[]) { } else if (argv[1] == std::string("predicted")) { libsmm_acc_triplets = { - { 4, 11, 20}, - { 4, 14, 9}, - { 4, 14, 26}, - { 4, 15, 11}, - { 4, 18, 43}, - { 4, 19, 10}, - { 4, 21, 9}, - { 4, 26, 18}, - { 4, 29, 36}, - { 4, 32, 18}, - { 4, 32, 39}, - { 4, 34, 22}, - { 4, 36, 14}, - { 4, 39, 30}, - { 4, 39, 39}, - { 4, 40, 37}, - { 4, 40, 40}, - { 5, 11, 14}, - { 5, 12, 15}, - { 5, 17, 25}, - { 5, 22, 31}, - { 5, 23, 8}, - { 5, 27, 40}, - { 5, 29, 8}, - { 5, 33, 27}, - { 5, 34, 20}, - { 5, 34, 41}, - { 5, 35, 34}, - { 5, 36, 20}, - { 5, 36, 26}, - { 5, 36, 43}, - { 5, 37, 5}, - { 5, 37, 12}, - { 5, 37, 19}, - { 5, 37, 24}, - { 5, 39, 39}, - { 5, 40, 39}, - { 5, 41, 33}, - { 5, 41, 39}, - { 5, 45, 38}, - { 6, 5, 11}, - { 6, 7, 43}, - { 6, 8, 15}, - { 6, 10, 36}, - { 6, 11, 20}, - { 6, 14, 40}, - { 6, 15, 24}, - { 6, 18, 38}, - { 6, 21, 35}, - { 6, 23, 9}, - { 6, 26, 28}, - { 6, 28, 28}, - { 6, 29, 21}, - { 6, 31, 45}, - { 6, 39, 16}, - { 6, 40, 23}, - { 6, 43, 27}, - { 7, 7, 29}, - { 7, 7, 35}, - { 7, 8, 22}, - { 7, 9, 22}, - { 7, 10, 5}, - { 7, 10, 38}, - { 7, 15, 11}, - { 7, 15, 41}, - { 7, 16, 25}, - { 7, 16, 28}, - { 7, 18, 4}, - { 7, 18, 45}, - { 7, 19, 5}, - { 7, 22, 5}, - { 7, 24, 32}, - { 7, 25, 44}, - { 7, 26, 6}, - { 7, 28, 11}, - { 7, 28, 24}, - { 7, 28, 36}, - { 7, 31, 13}, - { 7, 31, 24}, - { 7, 31, 36}, - { 7, 32, 38}, - { 7, 34, 21}, - { 7, 35, 34}, - { 7, 40, 29}, - { 7, 41, 5}, - { 7, 41, 18}, - { 7, 43, 8}, - { 7, 43, 18}, - { 7, 43, 35}, - { 7, 45, 20}, - { 8, 4, 40}, - { 8, 4, 42}, - { 8, 5, 26}, - { 8, 10, 19}, - { 8, 11, 40}, - { 8, 12, 19}, - { 8, 15, 41}, - { 8, 17, 12}, - { 8, 18, 11}, - { 8, 22, 32}, - { 8, 24, 29}, - { 8, 27, 22}, - { 8, 27, 36}, - { 8, 29, 11}, - { 8, 29, 22}, - { 8, 31, 39}, - { 8, 32, 43}, - { 8, 34, 27}, - { 8, 38, 14}, - { 8, 39, 14}, - { 8, 39, 43}, - { 8, 42, 27}, - { 9, 4, 43}, - { 9, 6, 33}, - { 9, 11, 5}, - { 9, 11, 41}, - { 9, 13, 8}, - { 9, 14, 26}, - { 9, 15, 10}, - { 9, 15, 32}, - { 9, 17, 5}, - { 9, 17, 9}, - { 9, 19, 38}, - { 9, 22, 5}, - { 9, 24, 12}, - { 9, 25, 40}, - { 9, 26, 38}, - { 9, 28, 24}, - { 9, 28, 29}, - { 9, 29, 22}, - { 9, 30, 36}, - { 9, 33, 29}, - { 9, 39, 6}, - { 9, 40, 10}, - { 9, 40, 36}, - { 9, 45, 23}, - {10, 4, 26}, - {10, 5, 39}, - {10, 6, 15}, - {10, 7, 35}, - {10, 11, 9}, - {10, 11, 26}, - {10, 12, 35}, - {10, 14, 26}, - {10, 18, 11}, - {10, 21, 45}, - {10, 22, 9}, - {10, 24, 10}, - {10, 25, 44}, - {10, 25, 45}, - {10, 29, 26}, - {10, 31, 40}, - {10, 32, 43}, - {10, 33, 13}, - {10, 33, 29}, - {10, 33, 37}, - {10, 37, 18}, - {10, 38, 42}, - {10, 40, 14}, - {10, 42, 36}, - {11, 4, 45}, - {11, 7, 45}, - {11, 9, 10}, - {11, 9, 28}, - {11, 11, 24}, - {11, 12, 10}, - {11, 12, 21}, - {11, 17, 13}, - {11, 17, 15}, - {11, 18, 36}, - {11, 18, 38}, - {11, 19, 14}, - {11, 20, 9}, - {11, 22, 11}, - {11, 22, 30}, - {11, 24, 11}, - {11, 24, 26}, - {11, 24, 30}, - {11, 26, 30}, - {11, 29, 7}, - {11, 29, 23}, - {11, 33, 14}, - {11, 34, 28}, - {11, 36, 7}, - {11, 37, 12}, - {11, 39, 27}, - {11, 41, 9}, - {12, 5, 35}, - {12, 12, 42}, - {12, 14, 7}, - {12, 19, 44}, - {12, 20, 33}, - {12, 22, 22}, - {12, 22, 42}, - {12, 26, 9}, - {12, 30, 7}, - {12, 30, 39}, - {12, 30, 40}, - {12, 32, 29}, - {12, 36, 31}, - {12, 39, 32}, - {12, 40, 23}, - {12, 41, 31}, - {12, 41, 33}, - {12, 45, 7}, - {12, 45, 42}, - {13, 6, 33}, - {13, 8, 41}, - {13, 9, 20}, - {13, 10, 6}, - {13, 10, 21}, - {13, 12, 38}, - {13, 13, 19}, - {13, 16, 38}, - {13, 18, 4}, - {13, 18, 28}, - {13, 18, 42}, - {13, 19, 33}, - {13, 20, 36}, - {13, 20, 44}, - {13, 21, 6}, - {13, 21, 34}, - {13, 21, 44}, - {13, 22, 33}, - {13, 22, 35}, - {13, 23, 30}, - {13, 27, 39}, - {13, 32, 31}, - {13, 34, 16}, - {13, 34, 20}, - {13, 36, 14}, - {13, 39, 35}, - {13, 41, 25}, - {13, 41, 33}, - {13, 44, 10}, - {14, 6, 6}, - {14, 6, 33}, - {14, 7, 29}, - {14, 9, 6}, - {14, 9, 34}, - {14, 10, 15}, - {14, 16, 27}, - {14, 16, 41}, - {14, 21, 37}, - {14, 24, 4}, - {14, 25, 19}, - {14, 25, 41}, - {14, 25, 45}, - {14, 27, 10}, - {14, 27, 45}, - {14, 28, 13}, - {14, 28, 43}, - {14, 29, 26}, - {14, 32, 38}, - {14, 33, 4}, - {14, 33, 8}, - {14, 35, 31}, - {14, 35, 42}, - {14, 37, 27}, - {14, 39, 7}, - {14, 39, 31}, - {14, 40, 7}, - {14, 40, 17}, - {14, 40, 18}, - {14, 44, 11}, - {15, 5, 28}, - {15, 7, 11}, - {15, 8, 5}, - {15, 9, 25}, - {15, 11, 4}, - {15, 12, 19}, - {15, 14, 7}, - {15, 14, 34}, - {15, 15, 18}, - {15, 18, 19}, - {15, 18, 25}, - {15, 19, 21}, - {15, 19, 33}, - {15, 21, 36}, - {15, 22, 26}, - {15, 25, 8}, - {15, 27, 5}, - {15, 27, 17}, - {15, 30, 14}, - {15, 31, 38}, - {15, 31, 41}, - {15, 36, 36}, - {15, 37, 6}, - {15, 43, 36}, - {16, 5, 10}, - {16, 5, 39}, - {16, 6, 18}, - {16, 10, 5}, - {16, 11, 33}, - {16, 14, 11}, - {16, 17, 24}, - {16, 20, 28}, - {16, 22, 20}, - {16, 23, 26}, - {16, 26, 36}, - {16, 27, 40}, - {16, 34, 43}, - {16, 36, 15}, - {16, 36, 32}, - {16, 40, 4}, - {16, 40, 39}, - {16, 41, 6}, - {16, 43, 33}, - {17, 4, 29}, - {17, 6, 20}, - {17, 7, 5}, - {17, 7, 8}, - {17, 7, 18}, - {17, 7, 42}, - {17, 8, 7}, - {17, 8, 29}, - {17, 9, 17}, - {17, 9, 35}, - {17, 10, 34}, - {17, 11, 28}, - {17, 13, 45}, - {17, 14, 36}, - {17, 15, 9}, - {17, 17, 25}, - {17, 21, 10}, - {17, 21, 41}, - {17, 23, 18}, - {17, 29, 37}, - {17, 30, 44}, - {17, 33, 36}, - {17, 36, 42}, - {17, 38, 38}, - {17, 42, 5}, - {17, 43, 30}, - {17, 44, 44}, - {17, 45, 16}, - {17, 45, 41}, - {18, 4, 20}, + { 4, 4, 37}, + { 4, 5, 33}, + { 4, 5, 40}, + { 4, 10, 23}, + { 4, 10, 43}, + { 4, 16, 10}, + { 4, 16, 20}, + { 4, 16, 44}, + { 4, 17, 4}, + { 4, 17, 33}, + { 4, 20, 8}, + { 4, 21, 11}, + { 4, 27, 40}, + { 4, 28, 23}, + { 4, 32, 10}, + { 4, 34, 27}, + { 4, 34, 40}, + { 4, 35, 26}, + { 4, 40, 12}, + { 4, 41, 19}, + { 4, 41, 39}, + { 4, 43, 25}, + { 5, 5, 29}, + { 5, 5, 41}, + { 5, 8, 38}, + { 5, 12, 20}, + { 5, 12, 36}, + { 5, 19, 34}, + { 5, 20, 28}, + { 5, 22, 33}, + { 5, 23, 26}, + { 5, 23, 29}, + { 5, 28, 24}, + { 5, 29, 9}, + { 5, 33, 15}, + { 5, 34, 39}, + { 5, 37, 8}, + { 5, 37, 26}, + { 5, 40, 19}, + { 5, 40, 31}, + { 5, 42, 9}, + { 6, 9, 20}, + { 6, 10, 24}, + { 6, 11, 25}, + { 6, 15, 4}, + { 6, 19, 13}, + { 6, 19, 26}, + { 6, 20, 15}, + { 6, 21, 17}, + { 6, 21, 24}, + { 6, 22, 19}, + { 6, 22, 32}, + { 6, 22, 33}, + { 6, 22, 38}, + { 6, 25, 30}, + { 6, 27, 18}, + { 6, 27, 31}, + { 6, 28, 43}, + { 6, 29, 16}, + { 6, 34, 23}, + { 6, 37, 17}, + { 6, 38, 37}, + { 6, 40, 6}, + { 6, 40, 27}, + { 6, 41, 38}, + { 6, 43, 26}, + { 6, 44, 42}, + { 7, 9, 40}, + { 7, 11, 15}, + { 7, 11, 29}, + { 7, 14, 4}, + { 7, 14, 15}, + { 7, 15, 31}, + { 7, 15, 39}, + { 7, 16, 13}, + { 7, 17, 26}, + { 7, 25, 43}, + { 7, 27, 6}, + { 7, 29, 10}, + { 7, 29, 39}, + { 7, 30, 24}, + { 7, 31, 17}, + { 7, 33, 13}, + { 7, 34, 13}, + { 7, 44, 12}, + { 8, 6, 15}, + { 8, 8, 18}, + { 8, 9, 28}, + { 8, 10, 14}, + { 8, 13, 13}, + { 8, 13, 20}, + { 8, 16, 28}, + { 8, 16, 31}, + { 8, 17, 32}, + { 8, 21, 11}, + { 8, 23, 21}, + { 8, 25, 19}, + { 8, 27, 11}, + { 8, 29, 44}, + { 8, 30, 10}, + { 8, 30, 14}, + { 8, 31, 40}, + { 8, 32, 12}, + { 8, 32, 33}, + { 8, 33, 4}, + { 8, 33, 23}, + { 8, 34, 5}, + { 8, 35, 33}, + { 8, 37, 7}, + { 8, 37, 13}, + { 8, 38, 12}, + { 8, 39, 25}, + { 8, 40, 5}, + { 8, 43, 5}, + { 8, 44, 37}, + { 8, 45, 31}, + { 8, 45, 41}, + { 9, 5, 42}, + { 9, 7, 21}, + { 9, 12, 45}, + { 9, 14, 10}, + { 9, 15, 40}, + { 9, 16, 44}, + { 9, 18, 34}, + { 9, 19, 22}, + { 9, 22, 16}, + { 9, 23, 39}, + { 9, 26, 34}, + { 9, 28, 41}, + { 9, 28, 44}, + { 9, 29, 7}, + { 9, 30, 11}, + { 9, 31, 20}, + { 9, 32, 35}, + { 9, 33, 17}, + { 9, 33, 21}, + { 9, 35, 15}, + { 9, 36, 6}, + { 9, 36, 39}, + { 9, 37, 25}, + { 9, 38, 5}, + { 9, 41, 28}, + { 9, 41, 33}, + { 9, 44, 28}, + {10, 5, 33}, + {10, 7, 5}, + {10, 9, 18}, + {10, 11, 15}, + {10, 12, 29}, + {10, 12, 30}, + {10, 12, 42}, + {10, 17, 27}, + {10, 18, 39}, + {10, 21, 40}, + {10, 25, 22}, + {10, 25, 25}, + {10, 28, 17}, + {10, 28, 36}, + {10, 30, 26}, + {10, 31, 42}, + {10, 33, 12}, + {10, 35, 9}, + {10, 36, 37}, + {10, 41, 10}, + {10, 42, 42}, + {10, 43, 10}, + {10, 43, 41}, + {11, 4, 9}, + {11, 4, 13}, + {11, 6, 8}, + {11, 7, 8}, + {11, 8, 32}, + {11, 9, 8}, + {11, 10, 39}, + {11, 11, 28}, + {11, 16, 44}, + {11, 17, 19}, + {11, 19, 16}, + {11, 22, 14}, + {11, 23, 21}, + {11, 24, 42}, + {11, 25, 21}, + {11, 28, 15}, + {11, 30, 33}, + {11, 31, 16}, + {11, 31, 30}, + {11, 31, 43}, + {11, 34, 18}, + {11, 36, 16}, + {11, 36, 40}, + {11, 37, 36}, + {11, 38, 15}, + {11, 39, 13}, + {11, 41, 23}, + {11, 41, 36}, + {11, 41, 45}, + {11, 42, 26}, + {11, 42, 33}, + {11, 42, 37}, + {11, 43, 23}, + {11, 45, 43}, + {12, 4, 30}, + {12, 4, 43}, + {12, 10, 20}, + {12, 13, 14}, + {12, 14, 38}, + {12, 16, 11}, + {12, 16, 34}, + {12, 17, 6}, + {12, 17, 29}, + {12, 24, 18}, + {12, 26, 19}, + {12, 28, 21}, + {12, 30, 5}, + {12, 32, 30}, + {12, 32, 39}, + {12, 35, 21}, + {12, 35, 41}, + {12, 36, 33}, + {12, 37, 11}, + {12, 43, 38}, + {13, 4, 17}, + {13, 6, 6}, + {13, 7, 6}, + {13, 8, 6}, + {13, 11, 35}, + {13, 13, 22}, + {13, 13, 23}, + {13, 14, 9}, + {13, 14, 35}, + {13, 15, 12}, + {13, 16, 19}, + {13, 23, 11}, + {13, 23, 18}, + {13, 23, 45}, + {13, 24, 33}, + {13, 25, 20}, + {13, 25, 23}, + {13, 26, 33}, + {13, 26, 35}, + {13, 29, 27}, + {13, 31, 41}, + {13, 31, 43}, + {13, 34, 11}, + {13, 36, 34}, + {13, 37, 25}, + {13, 38, 10}, + {13, 39, 36}, + {13, 40, 12}, + {13, 42, 12}, + {13, 43, 13}, + {14, 4, 41}, + {14, 5, 30}, + {14, 5, 39}, + {14, 6, 12}, + {14, 7, 43}, + {14, 11, 12}, + {14, 11, 26}, + {14, 11, 27}, + {14, 13, 45}, + {14, 14, 44}, + {14, 16, 19}, + {14, 17, 14}, + {14, 18, 30}, + {14, 20, 33}, + {14, 29, 28}, + {14, 31, 13}, + {14, 31, 27}, + {14, 35, 15}, + {14, 35, 36}, + {14, 38, 6}, + {14, 39, 12}, + {14, 39, 18}, + {14, 40, 23}, + {14, 40, 25}, + {14, 41, 20}, + {14, 43, 11}, + {14, 44, 32}, + {14, 44, 41}, + {15, 7, 22}, + {15, 7, 29}, + {15, 18, 39}, + {15, 20, 39}, + {15, 22, 25}, + {15, 22, 36}, + {15, 25, 7}, + {15, 25, 17}, + {15, 28, 11}, + {15, 28, 24}, + {15, 29, 12}, + {15, 31, 14}, + {15, 33, 30}, + {15, 33, 37}, + {15, 34, 12}, + {15, 39, 14}, + {15, 40, 45}, + {15, 41, 32}, + {15, 45, 19}, + {15, 45, 36}, + {16, 4, 15}, + {16, 4, 42}, + {16, 5, 40}, + {16, 7, 31}, + {16, 7, 34}, + {16, 8, 43}, + {16, 9, 27}, + {16, 10, 15}, + {16, 11, 43}, + {16, 16, 34}, + {16, 18, 40}, + {16, 19, 27}, + {16, 21, 31}, + {16, 25, 25}, + {16, 29, 30}, + {16, 30, 26}, + {16, 34, 45}, + {16, 37, 6}, + {16, 39, 11}, + {16, 41, 40}, + {16, 41, 45}, + {16, 43, 17}, + {16, 44, 6}, + {17, 4, 23}, + {17, 5, 42}, + {17, 9, 13}, + {17, 10, 44}, + {17, 13, 32}, + {17, 13, 36}, + {17, 15, 16}, + {17, 16, 7}, + {17, 19, 38}, + {17, 21, 11}, + {17, 25, 41}, + {17, 26, 34}, + {17, 31, 40}, + {17, 35, 17}, + {17, 35, 33}, + {17, 40, 32}, + {17, 40, 42}, + {17, 41, 37}, + {18, 4, 39}, {18, 5, 9}, - {18, 9, 9}, - {18, 14, 18}, - {18, 14, 31}, - {18, 15, 29}, - {18, 15, 37}, - {18, 18, 13}, - {18, 20, 14}, - {18, 20, 17}, - {18, 22, 33}, - {18, 24, 10}, - {18, 28, 23}, - {18, 30, 5}, - {18, 31, 32}, - {18, 32, 39}, - {18, 33, 29}, - {18, 35, 20}, - {18, 37, 40}, - {19, 7, 10}, - {19, 11, 18}, - {19, 13, 28}, - {19, 14, 8}, - {19, 15, 10}, - {19, 16, 39}, - {19, 18, 26}, - {19, 20, 19}, - {19, 21, 9}, - {19, 27, 12}, - {19, 28, 39}, - {19, 29, 21}, - {19, 31, 13}, - {19, 33, 13}, - {19, 34, 13}, - {19, 34, 33}, - {19, 35, 38}, - {19, 36, 42}, - {19, 36, 43}, - {19, 38, 43}, - {19, 39, 39}, - {19, 41, 35}, - {19, 45, 14}, - {19, 45, 16}, - {19, 45, 34}, - {20, 5, 30}, - {20, 7, 4}, - {20, 7, 39}, - {20, 8, 7}, - {20, 9, 22}, - {20, 10, 42}, - {20, 11, 43}, - {20, 15, 11}, - {20, 18, 34}, - {20, 19, 13}, + {18, 5, 34}, + {18, 6, 7}, + {18, 6, 26}, + {18, 6, 39}, + {18, 6, 45}, + {18, 9, 20}, + {18, 9, 42}, + {18, 10, 12}, + {18, 11, 20}, + {18, 13, 33}, + {18, 18, 11}, + {18, 21, 4}, + {18, 21, 39}, + {18, 21, 43}, + {18, 22, 18}, + {18, 22, 38}, + {18, 23, 14}, + {18, 25, 21}, + {18, 25, 25}, + {18, 31, 25}, + {18, 32, 33}, + {18, 34, 17}, + {18, 35, 16}, + {18, 37, 24}, + {18, 38, 10}, + {18, 39, 14}, + {18, 42, 13}, + {18, 45, 29}, + {19, 6, 38}, + {19, 7, 33}, + {19, 9, 19}, + {19, 9, 34}, + {19, 15, 14}, + {19, 15, 40}, + {19, 20, 22}, + {19, 22, 14}, + {19, 24, 34}, + {19, 28, 42}, + {19, 29, 39}, + {19, 33, 42}, + {19, 36, 25}, + {19, 37, 33}, + {19, 38, 13}, + {19, 38, 24}, + {19, 39, 26}, + {19, 40, 14}, + {19, 40, 20}, + {20, 4, 31}, + {20, 5, 13}, + {20, 6, 20}, + {20, 6, 31}, + {20, 7, 12}, + {20, 9, 8}, + {20, 13, 6}, + {20, 14, 37}, + {20, 14, 38}, + {20, 14, 39}, + {20, 15, 15}, + {20, 16, 20}, {20, 19, 31}, - {20, 20, 44}, - {20, 23, 4}, - {20, 23, 20}, - {20, 26, 14}, - {20, 26, 35}, - {20, 28, 21}, - {20, 31, 33}, - {20, 35, 33}, - {20, 39, 25}, - {20, 40, 45}, - {20, 41, 8}, - {20, 45, 17}, - {21, 4, 36}, - {21, 4, 44}, - {21, 8, 7}, - {21, 13, 42}, - {21, 14, 39}, - {21, 16, 12}, - {21, 16, 34}, - {21, 18, 31}, - {21, 18, 38}, - {21, 19, 38}, - {21, 20, 16}, - {21, 21, 23}, - {21, 26, 44}, - {21, 28, 7}, - {21, 31, 10}, - {21, 31, 15}, - {21, 31, 41}, - {21, 34, 21}, - {21, 38, 17}, - {21, 38, 24}, - {21, 38, 32}, - {21, 38, 45}, - {21, 40, 14}, - {21, 45, 27}, - {22, 5, 33}, - {22, 6, 41}, - {22, 8, 34}, - {22, 10, 14}, - {22, 11, 42}, - {22, 13, 11}, - {22, 17, 14}, - {22, 17, 29}, - {22, 18, 24}, - {22, 19, 28}, - {22, 19, 39}, - {22, 21, 9}, - {22, 21, 25}, - {22, 22, 20}, - {22, 25, 15}, - {22, 25, 36}, + {20, 20, 35}, + {20, 21, 23}, + {20, 22, 9}, + {20, 27, 29}, + {20, 30, 29}, + {20, 31, 9}, + {20, 35, 20}, + {20, 36, 18}, + {20, 36, 33}, + {20, 42, 43}, + {20, 44, 8}, + {20, 44, 23}, + 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14, 36}, - {44, 20, 12}, - {44, 20, 31}, - {44, 22, 44}, - {44, 25, 7}, - {44, 31, 38}, - {44, 32, 42}, - {44, 33, 8}, - {44, 33, 10}, - {44, 33, 23}, - {44, 36, 12}, - {44, 39, 22}, - {44, 41, 14}, - {44, 43, 14}, - {44, 43, 35}, - {45, 5, 43}, - {45, 6, 27}, - {45, 7, 21}, - {45, 10, 28}, - {45, 12, 45}, - {45, 14, 25}, - {45, 19, 20}, - {45, 19, 36}, - {45, 21, 5}, - {45, 21, 37}, - {45, 23, 33}, - {45, 26, 22}, - {45, 27, 17}, - {45, 28, 24}, - {45, 30, 25}, - {45, 31, 33}, - {45, 32, 34}, - {45, 33, 29}, - {45, 35, 8}, - {45, 38, 17}, - {45, 39, 6}, - {45, 42, 15}, + {42, 24, 20}, + {42, 28, 21}, + {42, 29, 40}, + {42, 31, 26}, + {42, 35, 25}, + {42, 35, 29}, + {42, 41, 32}, + {42, 41, 36}, + {42, 43, 23}, + {43, 5, 20}, + {43, 7, 22}, + {43, 7, 38}, + {43, 9, 45}, + {43, 10, 39}, + {43, 13, 10}, + {43, 13, 22}, + {43, 14, 30}, + {43, 14, 36}, + {43, 15, 8}, + {43, 23, 14}, + {43, 25, 22}, + {43, 26, 12}, + {43, 28, 19}, + {43, 31, 36}, + {43, 32, 31}, + {43, 33, 22}, + {43, 33, 38}, + {43, 34, 6}, + {43, 34, 29}, + {43, 35, 17}, + {43, 35, 39}, + {43, 36, 40}, + {43, 38, 9}, + {43, 43, 20}, + {44, 5, 35}, + {44, 7, 15}, + {44, 8, 19}, + {44, 9, 29}, + {44, 13, 41}, + {44, 14, 17}, + {44, 17, 45}, + {44, 19, 24}, + {44, 19, 45}, + {44, 20, 29}, + {44, 20, 38}, + {44, 22, 16}, + {44, 25, 42}, + {44, 27, 25}, + {44, 30, 39}, + {44, 30, 44}, + {44, 32, 40}, + {44, 35, 19}, + {44, 35, 23}, + {44, 35, 25}, + {44, 38, 18}, + {44, 40, 45}, + {44, 43, 12}, + {44, 43, 41}, + {44, 44, 6}, + {44, 44, 7}, + {44, 44, 30}, + {44, 44, 34}, + {45, 4, 17}, + {45, 10, 34}, + {45, 10, 40}, + {45, 11, 36}, + {45, 14, 10}, + {45, 21, 44}, + {45, 24, 7}, + {45, 24, 41}, + {45, 25, 34}, + {45, 27, 26}, + {45, 29, 6}, + {45, 29, 9}, + {45, 30, 23}, + {45, 30, 29}, + {45, 32, 44}, + {45, 33, 28}, + {45, 40, 44}, }; diff --git a/develop/src/libsmm_acc_unittest_multiply.cpp b/develop/src/libsmm_acc_unittest_multiply.cpp index 6eac69551f4..479bbd1dca5 100644 --- a/develop/src/libsmm_acc_unittest_multiply.cpp +++ b/develop/src/libsmm_acc_unittest_multiply.cpp @@ -44,7 +44,6 @@ int main(int argc, char** argv) { { 4, 4, 26}, { 4, 4, 28}, { 4, 4, 32}, - { 4, 4, 35}, { 4, 4, 45}, { 4, 5, 4}, { 4, 5, 5}, @@ -53,10 +52,12 @@ int main(int argc, char** argv) { { 4, 5, 8}, { 4, 5, 9}, { 4, 5, 13}, + { 4, 5, 17}, { 4, 5, 25}, { 4, 5, 26}, { 4, 5, 28}, { 4, 5, 32}, + { 4, 5, 37}, { 4, 5, 45}, { 4, 6, 4}, { 4, 6, 5}, @@ -64,7 +65,6 @@ int main(int argc, char** argv) { { 4, 6, 7}, { 4, 6, 8}, { 4, 6, 9}, - { 4, 6, 23}, { 4, 7, 4}, { 4, 7, 5}, { 4, 7, 6}, @@ -76,8 +76,6 @@ int main(int argc, char** argv) { { 4, 7, 26}, { 4, 7, 28}, { 4, 7, 32}, - { 4, 7, 40}, - { 4, 7, 41}, { 4, 7, 45}, { 4, 8, 4}, { 4, 8, 5}, @@ -85,6 +83,7 @@ int main(int argc, char** argv) { { 4, 8, 7}, { 4, 8, 8}, { 4, 8, 9}, + { 4, 8, 33}, { 4, 9, 4}, { 4, 9, 5}, { 4, 9, 6}, @@ -98,13 +97,14 @@ int main(int argc, char** argv) { { 4, 9, 32}, { 4, 9, 45}, { 4, 10, 4}, - { 4, 10, 5}, { 4, 10, 10}, { 4, 10, 15}, + { 4, 10, 39}, + { 4, 12, 11}, + { 4, 12, 40}, { 4, 13, 4}, { 4, 13, 5}, { 4, 13, 7}, - { 4, 13, 8}, { 4, 13, 9}, { 4, 13, 13}, { 4, 13, 25}, @@ -112,23 +112,25 @@ int main(int argc, char** argv) { { 4, 13, 28}, { 4, 13, 32}, { 4, 13, 45}, - { 4, 14, 43}, { 4, 15, 4}, { 4, 15, 10}, { 4, 15, 15}, - { 4, 18, 7}, - { 4, 18, 21}, - { 4, 20, 39}, + { 4, 16, 10}, + { 4, 18, 12}, + { 4, 18, 29}, + { 4, 19, 9}, + { 4, 20, 44}, + { 4, 20, 45}, { 4, 25, 4}, { 4, 25, 5}, { 4, 25, 7}, { 4, 25, 9}, + { 4, 25, 12}, { 4, 25, 13}, { 4, 25, 25}, { 4, 25, 26}, { 4, 25, 28}, { 4, 25, 32}, - { 4, 25, 37}, { 4, 25, 45}, { 4, 26, 4}, { 4, 26, 5}, @@ -140,7 +142,6 @@ int main(int argc, char** argv) { { 4, 26, 28}, { 4, 26, 32}, { 4, 26, 45}, - { 4, 27, 33}, { 4, 28, 4}, { 4, 28, 5}, { 4, 28, 7}, @@ -150,10 +151,8 @@ int main(int argc, char** argv) { { 4, 28, 26}, { 4, 28, 28}, { 4, 28, 32}, + { 4, 28, 39}, { 4, 28, 45}, - { 4, 30, 28}, - { 4, 31, 12}, - { 4, 31, 44}, { 4, 32, 4}, { 4, 32, 5}, { 4, 32, 7}, @@ -165,14 +164,16 @@ int main(int argc, char** argv) { { 4, 32, 32}, { 4, 32, 45}, { 4, 33, 33}, - { 4, 36, 15}, - { 4, 39, 7}, - { 4, 40, 34}, - { 4, 43, 29}, - { 4, 43, 45}, + { 4, 35, 12}, + { 4, 36, 25}, + { 4, 37, 14}, + { 4, 38, 29}, + { 4, 40, 21}, + { 4, 41, 33}, + { 4, 44, 6}, + { 4, 44, 31}, { 4, 45, 4}, { 4, 45, 5}, - { 4, 45, 6}, { 4, 45, 7}, { 4, 45, 9}, { 4, 45, 13}, @@ -188,6 +189,7 @@ int main(int argc, char** argv) { { 5, 4, 8}, { 5, 4, 9}, { 5, 4, 13}, + { 5, 4, 14}, { 5, 4, 25}, { 5, 4, 26}, { 5, 4, 28}, @@ -214,8 +216,7 @@ int main(int argc, char** argv) { { 5, 6, 7}, { 5, 6, 8}, { 5, 6, 9}, - { 5, 6, 10}, - { 5, 6, 19}, + { 5, 6, 41}, { 5, 7, 4}, { 5, 7, 5}, { 5, 7, 6}, @@ -246,10 +247,7 @@ int main(int argc, char** argv) { { 5, 9, 28}, { 5, 9, 32}, { 5, 9, 45}, - { 5, 10, 11}, - { 5, 10, 16}, - { 5, 10, 22}, - { 5, 11, 25}, + { 5, 10, 23}, { 5, 12, 5}, { 5, 12, 12}, { 5, 12, 13}, @@ -269,19 +267,19 @@ int main(int argc, char** argv) { { 5, 13, 32}, { 5, 13, 37}, { 5, 13, 45}, - { 5, 15, 19}, { 5, 16, 5}, { 5, 16, 13}, { 5, 16, 16}, { 5, 16, 32}, - { 5, 16, 43}, - { 5, 20, 7}, - { 5, 21, 43}, - { 5, 22, 15}, - { 5, 22, 21}, - { 5, 22, 45}, + { 5, 16, 33}, + { 5, 16, 36}, + { 5, 17, 4}, + { 5, 17, 14}, + { 5, 18, 32}, { 5, 24, 5}, + { 5, 24, 11}, { 5, 24, 13}, + { 5, 24, 20}, { 5, 24, 24}, { 5, 24, 26}, { 5, 24, 32}, @@ -317,8 +315,6 @@ int main(int argc, char** argv) { { 5, 28, 28}, { 5, 28, 32}, { 5, 28, 45}, - { 5, 29, 5}, - { 5, 29, 36}, { 5, 32, 4}, { 5, 32, 5}, { 5, 32, 7}, @@ -330,17 +326,17 @@ int main(int argc, char** argv) { { 5, 32, 25}, { 5, 32, 26}, { 5, 32, 28}, + { 5, 32, 30}, { 5, 32, 32}, { 5, 32, 45}, - { 5, 33, 7}, - { 5, 34, 28}, - { 5, 35, 22}, - { 5, 35, 34}, - { 5, 38, 11}, - { 5, 40, 22}, - { 5, 41, 15}, - { 5, 43, 4}, - { 5, 43, 41}, + { 5, 33, 16}, + { 5, 35, 5}, + { 5, 35, 26}, + { 5, 36, 33}, + { 5, 37, 35}, + { 5, 39, 7}, + { 5, 40, 6}, + { 5, 43, 13}, { 5, 45, 4}, { 5, 45, 5}, { 5, 45, 7}, @@ -350,7 +346,6 @@ int main(int argc, char** argv) { { 5, 45, 26}, { 5, 45, 28}, { 5, 45, 32}, - { 5, 45, 42}, { 5, 45, 45}, { 6, 4, 4}, { 6, 4, 5}, @@ -364,56 +359,55 @@ int main(int argc, char** argv) { { 6, 5, 7}, { 6, 5, 8}, { 6, 5, 9}, - { 6, 5, 29}, + { 6, 5, 31}, { 6, 6, 4}, { 6, 6, 5}, { 6, 6, 6}, { 6, 6, 7}, { 6, 6, 8}, { 6, 6, 9}, - { 6, 6, 43}, + { 6, 6, 28}, { 6, 7, 4}, { 6, 7, 5}, { 6, 7, 6}, { 6, 7, 7}, { 6, 7, 8}, { 6, 7, 9}, - { 6, 7, 22}, { 6, 8, 4}, { 6, 8, 5}, { 6, 8, 6}, { 6, 8, 7}, { 6, 8, 8}, { 6, 8, 9}, - { 6, 8, 14}, { 6, 9, 4}, { 6, 9, 5}, { 6, 9, 6}, { 6, 9, 7}, { 6, 9, 8}, { 6, 9, 9}, - { 6, 10, 18}, - { 6, 12, 26}, - { 6, 17, 29}, - { 6, 18, 13}, - { 6, 24, 13}, - { 6, 25, 19}, - { 6, 25, 38}, - { 6, 29, 33}, - { 6, 29, 34}, - { 6, 30, 13}, - { 6, 30, 21}, - { 6, 30, 36}, - { 6, 31, 24}, - { 6, 32, 10}, - { 6, 34, 15}, - { 6, 34, 28}, - { 6, 35, 12}, - { 6, 37, 16}, - { 6, 37, 19}, - { 6, 37, 45}, - { 6, 45, 11}, - { 6, 45, 38}, + { 6, 9, 19}, + { 6, 9, 25}, + { 6, 10, 28}, + { 6, 10, 39}, + { 6, 16, 30}, + { 6, 18, 5}, + { 6, 18, 9}, + { 6, 20, 5}, + { 6, 20, 39}, + { 6, 23, 11}, + { 6, 23, 42}, + { 6, 27, 16}, + { 6, 28, 7}, + { 6, 28, 35}, + { 6, 30, 30}, + { 6, 30, 37}, + { 6, 31, 42}, + { 6, 32, 33}, + { 6, 36, 16}, + { 6, 39, 26}, + { 6, 40, 20}, + { 6, 44, 36}, + { 6, 45, 16}, { 7, 4, 4}, { 7, 4, 5}, { 7, 4, 6}, @@ -425,7 +419,6 @@ int main(int argc, char** argv) { { 7, 4, 26}, { 7, 4, 28}, { 7, 4, 32}, - { 7, 4, 38}, { 7, 4, 45}, { 7, 5, 4}, { 7, 5, 5}, @@ -434,7 +427,6 @@ int main(int argc, char** argv) { { 7, 5, 8}, { 7, 5, 9}, { 7, 5, 13}, - { 7, 5, 22}, { 7, 5, 25}, { 7, 5, 26}, { 7, 5, 28}, @@ -446,7 +438,7 @@ int main(int argc, char** argv) { { 7, 6, 7}, { 7, 6, 8}, { 7, 6, 9}, - { 7, 6, 21}, + { 7, 6, 26}, { 7, 7, 4}, { 7, 7, 5}, { 7, 7, 6}, @@ -454,10 +446,12 @@ int main(int argc, char** argv) { { 7, 7, 8}, { 7, 7, 9}, { 7, 7, 13}, + { 7, 7, 16}, { 7, 7, 25}, { 7, 7, 26}, { 7, 7, 28}, { 7, 7, 32}, + { 7, 7, 33}, { 7, 7, 45}, { 7, 8, 4}, { 7, 8, 5}, @@ -465,7 +459,6 @@ int main(int argc, char** argv) { { 7, 8, 7}, { 7, 8, 8}, { 7, 8, 9}, - { 7, 8, 34}, { 7, 9, 4}, { 7, 9, 5}, { 7, 9, 6}, @@ -478,31 +471,30 @@ int main(int argc, char** argv) { { 7, 9, 28}, { 7, 9, 32}, { 7, 9, 45}, - { 7, 10, 31}, - { 7, 11, 20}, - { 7, 12, 6}, + { 7, 10, 22}, + { 7, 10, 26}, + { 7, 11, 11}, + { 7, 12, 17}, { 7, 13, 4}, { 7, 13, 5}, { 7, 13, 7}, { 7, 13, 9}, { 7, 13, 13}, - { 7, 13, 22}, { 7, 13, 25}, { 7, 13, 26}, { 7, 13, 28}, + { 7, 13, 31}, { 7, 13, 32}, { 7, 13, 45}, - { 7, 16, 14}, - { 7, 16, 22}, - { 7, 17, 34}, - { 7, 21, 9}, - { 7, 21, 24}, - { 7, 21, 26}, + { 7, 14, 20}, + { 7, 21, 11}, + { 7, 22, 4}, + { 7, 22, 29}, + { 7, 24, 31}, { 7, 25, 4}, { 7, 25, 5}, { 7, 25, 7}, { 7, 25, 9}, - { 7, 25, 12}, { 7, 25, 13}, { 7, 25, 25}, { 7, 25, 26}, @@ -514,23 +506,26 @@ int main(int argc, char** argv) { { 7, 26, 7}, { 7, 26, 9}, { 7, 26, 13}, + { 7, 26, 17}, { 7, 26, 25}, { 7, 26, 26}, { 7, 26, 28}, { 7, 26, 32}, { 7, 26, 45}, + { 7, 27, 44}, { 7, 28, 4}, { 7, 28, 5}, { 7, 28, 7}, { 7, 28, 9}, { 7, 28, 13}, + { 7, 28, 18}, { 7, 28, 25}, { 7, 28, 26}, { 7, 28, 28}, { 7, 28, 32}, - { 7, 28, 34}, { 7, 28, 45}, - { 7, 30, 21}, + { 7, 30, 31}, + { 7, 31, 24}, { 7, 32, 4}, { 7, 32, 5}, { 7, 32, 7}, @@ -540,23 +535,20 @@ int main(int argc, char** argv) { { 7, 32, 26}, { 7, 32, 28}, { 7, 32, 32}, - { 7, 32, 33}, - { 7, 32, 36}, { 7, 32, 45}, - { 7, 34, 18}, - { 7, 38, 23}, - { 7, 39, 38}, - { 7, 40, 45}, - { 7, 42, 16}, - { 7, 43, 18}, - { 7, 43, 36}, - { 7, 44, 17}, + { 7, 33, 5}, + { 7, 36, 8}, + { 7, 36, 34}, + { 7, 37, 16}, + { 7, 41, 4}, + { 7, 42, 7}, + { 7, 42, 30}, + { 7, 43, 15}, { 7, 45, 4}, { 7, 45, 5}, { 7, 45, 7}, { 7, 45, 9}, { 7, 45, 13}, - { 7, 45, 23}, { 7, 45, 25}, { 7, 45, 26}, { 7, 45, 28}, @@ -568,7 +560,6 @@ int main(int argc, char** argv) { { 8, 4, 7}, { 8, 4, 8}, { 8, 4, 9}, - { 8, 4, 28}, { 8, 5, 4}, { 8, 5, 5}, { 8, 5, 6}, @@ -581,55 +572,62 @@ int main(int argc, char** argv) { { 8, 6, 7}, { 8, 6, 8}, { 8, 6, 9}, + { 8, 6, 21}, { 8, 7, 4}, { 8, 7, 5}, { 8, 7, 6}, { 8, 7, 7}, { 8, 7, 8}, { 8, 7, 9}, - { 8, 7, 20}, { 8, 8, 4}, { 8, 8, 5}, { 8, 8, 6}, { 8, 8, 7}, { 8, 8, 8}, { 8, 8, 9}, - { 8, 8, 11}, + { 8, 8, 31}, + { 8, 8, 39}, + { 8, 8, 44}, { 8, 9, 4}, { 8, 9, 5}, { 8, 9, 6}, { 8, 9, 7}, { 8, 9, 8}, { 8, 9, 9}, - { 8, 12, 30}, - { 8, 13, 45}, - { 8, 17, 45}, - { 8, 19, 6}, - { 8, 21, 25}, - { 8, 23, 32}, - { 8, 26, 22}, - { 8, 29, 24}, - { 8, 30, 5}, - { 8, 32, 9}, - { 8, 35, 10}, - { 8, 35, 11}, - { 8, 36, 14}, - { 8, 38, 10}, - { 8, 38, 13}, - { 8, 39, 19}, - { 8, 41, 10}, - { 8, 41, 21}, - { 8, 42, 32}, - { 8, 42, 43}, - { 8, 44, 22}, + { 8, 9, 27}, + { 8, 11, 19}, + { 8, 11, 27}, + { 8, 13, 5}, + { 8, 13, 8}, + { 8, 18, 6}, + { 8, 22, 28}, + { 8, 24, 44}, + { 8, 26, 10}, + { 8, 27, 20}, + { 8, 27, 44}, + { 8, 30, 38}, + { 8, 31, 9}, + { 8, 32, 4}, + { 8, 32, 14}, + { 8, 32, 33}, + { 8, 32, 45}, + { 8, 35, 12}, + { 8, 35, 36}, + { 8, 36, 34}, + { 8, 37, 25}, + { 8, 38, 16}, + { 8, 42, 12}, + { 8, 43, 6}, + { 8, 43, 29}, + { 8, 45, 43}, { 9, 4, 4}, { 9, 4, 5}, { 9, 4, 6}, { 9, 4, 7}, { 9, 4, 8}, { 9, 4, 9}, - { 9, 4, 10}, { 9, 4, 13}, + { 9, 4, 16}, { 9, 4, 25}, { 9, 4, 26}, { 9, 4, 28}, @@ -653,6 +651,7 @@ int main(int argc, char** argv) { { 9, 6, 7}, { 9, 6, 8}, { 9, 6, 9}, + { 9, 6, 41}, { 9, 7, 4}, { 9, 7, 5}, { 9, 7, 6}, @@ -664,6 +663,7 @@ int main(int argc, char** argv) { { 9, 7, 26}, { 9, 7, 28}, { 9, 7, 32}, + { 9, 7, 34}, { 9, 7, 45}, { 9, 8, 4}, { 9, 8, 5}, @@ -684,13 +684,15 @@ int main(int argc, char** argv) { { 9, 9, 25}, { 9, 9, 26}, { 9, 9, 28}, + { 9, 9, 29}, { 9, 9, 32}, { 9, 9, 45}, { 9, 10, 9}, { 9, 10, 10}, { 9, 10, 12}, { 9, 10, 32}, - { 9, 11, 8}, + { 9, 10, 35}, + { 9, 11, 40}, { 9, 12, 9}, { 9, 12, 10}, { 9, 12, 12}, @@ -700,30 +702,25 @@ int main(int argc, char** argv) { { 9, 13, 7}, { 9, 13, 9}, { 9, 13, 13}, + { 9, 13, 24}, { 9, 13, 25}, { 9, 13, 26}, { 9, 13, 28}, { 9, 13, 32}, - { 9, 13, 40}, { 9, 13, 45}, - { 9, 14, 21}, - { 9, 15, 10}, - { 9, 16, 15}, - { 9, 18, 45}, - { 9, 19, 4}, - { 9, 19, 8}, - { 9, 21, 27}, + { 9, 14, 44}, + { 9, 16, 14}, + { 9, 16, 21}, + { 9, 17, 41}, { 9, 22, 9}, - { 9, 22, 16}, { 9, 22, 22}, { 9, 22, 32}, - { 9, 23, 15}, + { 9, 24, 43}, { 9, 25, 4}, { 9, 25, 5}, { 9, 25, 7}, { 9, 25, 9}, { 9, 25, 13}, - { 9, 25, 21}, { 9, 25, 25}, { 9, 25, 26}, { 9, 25, 28}, @@ -739,7 +736,6 @@ int main(int argc, char** argv) { { 9, 26, 28}, { 9, 26, 32}, { 9, 26, 45}, - { 9, 27, 8}, { 9, 28, 4}, { 9, 28, 5}, { 9, 28, 7}, @@ -750,29 +746,35 @@ int main(int argc, char** argv) { { 9, 28, 28}, { 9, 28, 32}, { 9, 28, 45}, - { 9, 29, 8}, - { 9, 29, 12}, { 9, 32, 4}, { 9, 32, 5}, { 9, 32, 7}, - { 9, 32, 8}, { 9, 32, 9}, { 9, 32, 10}, { 9, 32, 12}, { 9, 32, 13}, + { 9, 32, 19}, { 9, 32, 22}, { 9, 32, 25}, { 9, 32, 26}, + { 9, 32, 27}, { 9, 32, 28}, { 9, 32, 32}, { 9, 32, 45}, - { 9, 37, 12}, - { 9, 38, 15}, - { 9, 39, 14}, - { 9, 40, 11}, - { 9, 41, 41}, - { 9, 42, 28}, - { 9, 44, 8}, + { 9, 33, 44}, + { 9, 34, 17}, + { 9, 36, 21}, + { 9, 36, 33}, + { 9, 37, 33}, + { 9, 38, 11}, + { 9, 38, 44}, + { 9, 39, 13}, + { 9, 39, 20}, + { 9, 40, 4}, + { 9, 40, 38}, + { 9, 41, 33}, + { 9, 42, 31}, + { 9, 43, 24}, { 9, 45, 4}, { 9, 45, 5}, { 9, 45, 7}, @@ -784,65 +786,60 @@ int main(int argc, char** argv) { { 9, 45, 32}, { 9, 45, 45}, {10, 4, 4}, + {10, 4, 8}, {10, 4, 10}, - {10, 4, 11}, {10, 4, 15}, - {10, 4, 21}, - {10, 4, 22}, - {10, 7, 24}, - {10, 8, 17}, + {10, 5, 7}, + {10, 6, 26}, + {10, 6, 35}, + {10, 8, 45}, {10, 9, 9}, {10, 9, 10}, {10, 9, 12}, {10, 9, 32}, {10, 10, 4}, - {10, 10, 7}, {10, 10, 9}, {10, 10, 10}, {10, 10, 11}, {10, 10, 12}, {10, 10, 15}, + {10, 10, 29}, {10, 10, 32}, - {10, 12, 7}, + {10, 11, 39}, {10, 12, 9}, {10, 12, 10}, {10, 12, 12}, - {10, 12, 13}, {10, 12, 32}, - {10, 13, 18}, + {10, 13, 4}, {10, 15, 4}, {10, 15, 10}, {10, 15, 15}, - {10, 19, 9}, - {10, 20, 32}, + {10, 15, 24}, + {10, 16, 9}, + {10, 16, 15}, + {10, 16, 43}, + {10, 18, 13}, + {10, 21, 7}, + {10, 21, 12}, + {10, 23, 21}, {10, 23, 22}, - {10, 23, 32}, - {10, 24, 38}, - {10, 25, 40}, - {10, 27, 19}, - {10, 27, 37}, - {10, 28, 15}, - {10, 29, 22}, - {10, 30, 13}, - {10, 30, 38}, + {10, 25, 41}, + {10, 28, 35}, + {10, 31, 6}, {10, 32, 9}, {10, 32, 10}, {10, 32, 12}, + {10, 32, 18}, {10, 32, 32}, - {10, 36, 11}, - {10, 37, 21}, - {10, 39, 8}, - {10, 39, 29}, - {10, 41, 31}, - {10, 41, 45}, - {10, 43, 7}, - {10, 43, 35}, - {11, 5, 6}, - {11, 6, 8}, - {11, 6, 26}, - {11, 7, 39}, - {11, 8, 43}, - {11, 10, 12}, + {10, 36, 5}, + {10, 37, 16}, + {10, 37, 43}, + {10, 38, 27}, + {10, 40, 38}, + {10, 41, 18}, + {11, 4, 43}, + {11, 6, 14}, + {11, 8, 12}, {11, 11, 11}, {11, 11, 12}, {11, 11, 20}, @@ -852,50 +849,55 @@ int main(int argc, char** argv) { {11, 12, 12}, {11, 12, 20}, {11, 12, 25}, - {11, 12, 28}, {11, 12, 32}, - {11, 14, 7}, - {11, 15, 18}, - {11, 15, 28}, - {11, 18, 26}, - {11, 18, 39}, - {11, 19, 9}, + {11, 16, 45}, + {11, 18, 4}, + {11, 19, 17}, {11, 20, 11}, {11, 20, 12}, {11, 20, 20}, {11, 20, 25}, - {11, 20, 26}, {11, 20, 32}, - {11, 21, 9}, - {11, 22, 43}, - {11, 23, 38}, + {11, 21, 7}, + {11, 22, 20}, + {11, 22, 22}, + {11, 22, 28}, + {11, 23, 14}, + {11, 23, 25}, {11, 25, 11}, {11, 25, 12}, {11, 25, 20}, {11, 25, 25}, {11, 25, 32}, - {11, 28, 33}, - {11, 28, 42}, - {11, 29, 42}, - {11, 32, 6}, + {11, 26, 44}, + {11, 28, 37}, {11, 32, 11}, {11, 32, 12}, {11, 32, 20}, {11, 32, 25}, {11, 32, 32}, - {11, 43, 31}, - {12, 5, 4}, + {11, 33, 12}, + {11, 35, 35}, + {11, 38, 39}, + {11, 39, 31}, + {11, 39, 36}, + {11, 41, 35}, + {11, 43, 13}, {12, 5, 5}, + {12, 5, 10}, {12, 5, 12}, {12, 5, 13}, - {12, 5, 19}, {12, 5, 26}, {12, 5, 32}, - {12, 8, 16}, + {12, 7, 10}, + {12, 7, 45}, + {12, 8, 21}, + {12, 8, 27}, {12, 9, 9}, {12, 9, 10}, + {12, 9, 11}, {12, 9, 12}, - {12, 9, 23}, + {12, 9, 14}, {12, 9, 32}, {12, 10, 9}, {12, 10, 10}, @@ -903,7 +905,9 @@ int main(int argc, char** argv) { {12, 10, 32}, {12, 11, 11}, {12, 11, 12}, + {12, 11, 18}, {12, 11, 20}, + {12, 11, 23}, {12, 11, 25}, {12, 11, 32}, {12, 12, 5}, @@ -912,6 +916,7 @@ int main(int argc, char** argv) { {12, 12, 11}, {12, 12, 12}, {12, 12, 13}, + {12, 12, 14}, {12, 12, 16}, {12, 12, 20}, {12, 12, 25}, @@ -922,19 +927,22 @@ int main(int argc, char** argv) { {12, 13, 13}, {12, 13, 26}, {12, 13, 32}, - {12, 14, 43}, - {12, 15, 9}, + {12, 15, 17}, {12, 16, 12}, {12, 16, 16}, {12, 16, 32}, - {12, 17, 39}, {12, 20, 11}, {12, 20, 12}, {12, 20, 20}, + {12, 20, 22}, {12, 20, 25}, {12, 20, 32}, - {12, 21, 44}, - {12, 22, 13}, + {12, 21, 12}, + {12, 22, 9}, + {12, 22, 25}, + {12, 24, 8}, + {12, 24, 15}, + {12, 24, 30}, {12, 25, 11}, {12, 25, 12}, {12, 25, 20}, @@ -945,9 +953,10 @@ int main(int argc, char** argv) { {12, 26, 13}, {12, 26, 26}, {12, 26, 32}, - {12, 26, 44}, - {12, 30, 8}, - {12, 31, 13}, + {12, 27, 14}, + {12, 30, 11}, + {12, 30, 13}, + {12, 31, 27}, {12, 32, 5}, {12, 32, 9}, {12, 32, 10}, @@ -959,14 +968,18 @@ int main(int argc, char** argv) { {12, 32, 25}, {12, 32, 26}, {12, 32, 32}, - {12, 33, 10}, - {12, 40, 41}, - {12, 44, 32}, + {12, 36, 12}, + {12, 41, 12}, + {12, 41, 15}, + {12, 41, 23}, + {12, 41, 40}, + {12, 45, 45}, {13, 4, 4}, {13, 4, 5}, {13, 4, 7}, {13, 4, 9}, {13, 4, 13}, + {13, 4, 22}, {13, 4, 25}, {13, 4, 26}, {13, 4, 28}, @@ -985,34 +998,37 @@ int main(int argc, char** argv) { {13, 5, 28}, {13, 5, 32}, {13, 5, 45}, + {13, 6, 21}, {13, 7, 4}, {13, 7, 5}, {13, 7, 7}, {13, 7, 9}, + {13, 7, 10}, {13, 7, 13}, {13, 7, 25}, {13, 7, 26}, {13, 7, 28}, {13, 7, 32}, + {13, 7, 36}, {13, 7, 45}, - {13, 8, 16}, + {13, 8, 14}, {13, 9, 4}, {13, 9, 5}, {13, 9, 7}, - {13, 9, 8}, {13, 9, 9}, + {13, 9, 11}, {13, 9, 13}, {13, 9, 25}, {13, 9, 26}, + {13, 9, 27}, {13, 9, 28}, + {13, 9, 31}, {13, 9, 32}, {13, 9, 45}, - {13, 10, 4}, - {13, 11, 41}, + {13, 11, 29}, {13, 12, 5}, {13, 12, 12}, {13, 12, 13}, - {13, 12, 24}, {13, 12, 26}, {13, 12, 32}, {13, 13, 4}, @@ -1028,26 +1044,25 @@ int main(int argc, char** argv) { {13, 13, 26}, {13, 13, 28}, {13, 13, 32}, - {13, 13, 42}, + {13, 13, 33}, + {13, 13, 36}, {13, 13, 45}, + {13, 14, 8}, {13, 14, 13}, {13, 14, 14}, {13, 14, 25}, {13, 14, 26}, {13, 14, 32}, - {13, 14, 41}, - {13, 15, 29}, {13, 16, 5}, {13, 16, 13}, {13, 16, 16}, {13, 16, 32}, - {13, 16, 36}, - {13, 17, 21}, - {13, 20, 19}, - {13, 21, 4}, + {13, 20, 26}, + {13, 21, 21}, + {13, 21, 27}, + {13, 22, 29}, {13, 24, 5}, {13, 24, 13}, - {13, 24, 17}, {13, 24, 24}, {13, 24, 26}, {13, 24, 32}, @@ -1080,13 +1095,11 @@ int main(int argc, char** argv) { {13, 28, 7}, {13, 28, 9}, {13, 28, 13}, - {13, 28, 23}, {13, 28, 24}, {13, 28, 25}, {13, 28, 26}, {13, 28, 28}, {13, 28, 32}, - {13, 28, 36}, {13, 28, 45}, {13, 32, 4}, {13, 32, 5}, @@ -1102,13 +1115,11 @@ int main(int argc, char** argv) { {13, 32, 28}, {13, 32, 32}, {13, 32, 45}, - {13, 33, 30}, - {13, 33, 35}, - {13, 36, 37}, - {13, 37, 16}, - {13, 38, 24}, - {13, 41, 40}, + {13, 35, 19}, + {13, 37, 32}, + {13, 39, 32}, {13, 42, 27}, + {13, 44, 5}, {13, 45, 4}, {13, 45, 5}, {13, 45, 7}, @@ -1118,13 +1129,18 @@ int main(int argc, char** argv) { {13, 45, 26}, {13, 45, 28}, {13, 45, 32}, + {13, 45, 38}, {13, 45, 45}, - {14, 4, 11}, - {14, 4, 28}, - {14, 7, 14}, - {14, 8, 11}, - {14, 11, 9}, - {14, 11, 29}, + {14, 4, 17}, + {14, 5, 35}, + {14, 6, 24}, + {14, 6, 32}, + {14, 6, 45}, + {14, 7, 19}, + {14, 8, 34}, + {14, 10, 41}, + {14, 11, 23}, + {14, 11, 30}, {14, 13, 13}, {14, 13, 14}, {14, 13, 25}, @@ -1133,31 +1149,30 @@ int main(int argc, char** argv) { {14, 14, 13}, {14, 14, 14}, {14, 14, 16}, - {14, 14, 24}, {14, 14, 25}, {14, 14, 26}, {14, 14, 29}, {14, 14, 32}, + {14, 14, 33}, + {14, 16, 10}, {14, 16, 14}, {14, 16, 16}, {14, 16, 29}, - {14, 19, 21}, - {14, 19, 27}, - {14, 19, 30}, - {14, 19, 32}, - {14, 22, 40}, - {14, 23, 16}, + {14, 21, 35}, + {14, 22, 22}, {14, 25, 13}, {14, 25, 14}, {14, 25, 25}, {14, 25, 26}, {14, 25, 32}, + {14, 25, 34}, + {14, 25, 45}, {14, 26, 13}, {14, 26, 14}, {14, 26, 25}, {14, 26, 26}, {14, 26, 32}, - {14, 26, 43}, + {14, 27, 20}, {14, 29, 14}, {14, 29, 16}, {14, 29, 29}, @@ -1168,188 +1183,172 @@ int main(int argc, char** argv) { {14, 32, 26}, {14, 32, 29}, {14, 32, 32}, - {14, 33, 45}, - {14, 40, 24}, - {14, 41, 26}, - {14, 42, 6}, - {14, 43, 19}, + {14, 36, 15}, + {14, 36, 41}, + {14, 37, 10}, + {14, 37, 32}, + {14, 39, 39}, + {14, 40, 21}, + {14, 40, 30}, + {14, 42, 15}, {15, 4, 4}, + {15, 4, 7}, {15, 4, 10}, {15, 4, 15}, - {15, 4, 17}, - {15, 5, 33}, - {15, 6, 25}, - {15, 6, 44}, + {15, 5, 6}, + {15, 6, 18}, {15, 10, 4}, {15, 10, 10}, {15, 10, 15}, - {15, 10, 33}, - {15, 10, 40}, - {15, 13, 22}, - {15, 14, 38}, + {15, 11, 32}, + {15, 14, 25}, {15, 15, 4}, {15, 15, 10}, {15, 15, 15}, - {15, 19, 20}, + {15, 15, 30}, {15, 19, 27}, - {15, 19, 28}, - {15, 23, 37}, - {15, 24, 32}, - {15, 27, 28}, - {15, 28, 27}, - {15, 29, 43}, - {15, 36, 40}, - {15, 37, 14}, - {15, 39, 28}, - {15, 42, 8}, - {15, 42, 12}, - {15, 45, 36}, - {15, 45, 45}, - {16, 4, 14}, + {15, 20, 10}, + {15, 20, 25}, + {15, 20, 40}, + {15, 24, 8}, + {15, 25, 29}, + {15, 26, 15}, + {15, 26, 44}, + {15, 27, 13}, + {15, 30, 32}, + {15, 32, 4}, + {15, 32, 37}, + {15, 35, 25}, + {15, 36, 32}, + {15, 38, 42}, + {15, 39, 21}, + {15, 39, 22}, + {15, 39, 43}, + {15, 43, 9}, + {15, 43, 37}, + {15, 45, 4}, {16, 5, 5}, {16, 5, 13}, {16, 5, 16}, - {16, 5, 30}, {16, 5, 32}, - {16, 6, 24}, - {16, 7, 44}, {16, 12, 12}, {16, 12, 16}, {16, 12, 32}, {16, 13, 5}, {16, 13, 13}, {16, 13, 16}, + {16, 13, 30}, {16, 13, 32}, + {16, 13, 33}, {16, 14, 14}, {16, 14, 16}, {16, 14, 29}, - {16, 15, 4}, {16, 16, 5}, {16, 16, 12}, {16, 16, 13}, {16, 16, 14}, {16, 16, 16}, - {16, 16, 21}, {16, 16, 29}, {16, 16, 32}, - {16, 16, 42}, - {16, 17, 35}, - {16, 18, 45}, - {16, 19, 11}, + {16, 17, 6}, + {16, 17, 20}, + {16, 18, 6}, + {16, 18, 7}, + {16, 19, 30}, + {16, 20, 35}, + {16, 23, 7}, {16, 24, 38}, - {16, 26, 10}, + {16, 25, 10}, + {16, 25, 27}, + {16, 25, 43}, + {16, 28, 4}, {16, 29, 14}, {16, 29, 16}, - {16, 29, 19}, {16, 29, 29}, - {16, 31, 28}, {16, 32, 5}, {16, 32, 12}, {16, 32, 13}, {16, 32, 16}, {16, 32, 32}, - {16, 34, 31}, - {16, 34, 44}, - {16, 36, 32}, - {16, 37, 37}, - {16, 40, 13}, - {16, 42, 10}, - {16, 42, 44}, - {16, 44, 35}, - {16, 45, 24}, - {16, 45, 27}, - {17, 4, 14}, - {17, 4, 25}, - {17, 4, 35}, - {17, 7, 9}, - {17, 9, 29}, - {17, 12, 40}, - {17, 13, 19}, - {17, 15, 9}, - {17, 15, 25}, - {17, 16, 4}, + {16, 34, 22}, + {16, 35, 32}, + {16, 36, 29}, + {16, 37, 9}, + {16, 43, 34}, + {17, 6, 11}, + {17, 7, 18}, + {17, 8, 39}, + {17, 10, 36}, + {17, 11, 43}, + {17, 11, 45}, + {17, 12, 4}, {17, 17, 17}, - {17, 17, 40}, - {17, 18, 15}, - {17, 20, 16}, - {17, 21, 5}, - {17, 23, 6}, - {17, 24, 29}, - {17, 28, 33}, - {17, 29, 14}, - {17, 30, 17}, - {17, 30, 22}, - {17, 31, 29}, - {17, 32, 45}, - {17, 35, 38}, - {17, 36, 9}, - {17, 37, 36}, - {17, 39, 6}, - {17, 40, 43}, - {17, 41, 13}, - {17, 42, 38}, + {17, 17, 18}, + {17, 17, 30}, + {17, 18, 7}, + {17, 20, 42}, + {17, 22, 15}, + {17, 22, 20}, + {17, 23, 4}, + {17, 24, 16}, + {17, 25, 36}, + {17, 25, 43}, + {17, 26, 35}, + {17, 27, 31}, + {17, 29, 16}, + {17, 29, 29}, + {17, 30, 33}, + {17, 36, 42}, + {17, 41, 26}, {17, 42, 43}, - {17, 44, 19}, - {17, 45, 29}, - {17, 45, 31}, - {18, 6, 11}, - {18, 7, 12}, - {18, 7, 13}, - {18, 8, 16}, - {18, 9, 21}, - {18, 10, 16}, - {18, 10, 27}, - {18, 13, 7}, - {18, 13, 9}, - {18, 14, 23}, - {18, 15, 28}, - {18, 17, 36}, + {17, 42, 45}, + {17, 44, 17}, + {17, 45, 27}, + {17, 45, 36}, + {18, 5, 36}, {18, 18, 18}, - {18, 21, 34}, - {18, 21, 44}, - {18, 22, 33}, - {18, 25, 4}, - {18, 25, 20}, - {18, 25, 23}, - {18, 26, 19}, - {18, 26, 22}, - {18, 29, 41}, - {18, 32, 35}, - {18, 35, 9}, - {18, 41, 20}, - {18, 44, 18}, - {18, 45, 23}, + {18, 22, 37}, + {18, 23, 8}, + {18, 24, 17}, + {18, 24, 32}, + {18, 28, 22}, + {18, 29, 26}, + {18, 30, 42}, + {18, 31, 43}, + {18, 34, 9}, + {18, 36, 22}, + {18, 39, 22}, + {18, 41, 4}, + {18, 42, 45}, + {18, 43, 8}, + {18, 44, 22}, + {18, 45, 10}, {18, 45, 39}, - {19, 4, 45}, - {19, 8, 19}, - {19, 8, 26}, - {19, 11, 42}, - {19, 13, 42}, - {19, 18, 15}, + {19, 4, 32}, + {19, 10, 17}, + {19, 12, 6}, + {19, 12, 16}, + {19, 13, 36}, + {19, 14, 22}, + {19, 16, 11}, {19, 19, 19}, - {19, 22, 4}, - {19, 25, 21}, - {19, 28, 22}, - {19, 29, 39}, - {19, 29, 41}, - {19, 31, 38}, - {19, 33, 33}, - {19, 36, 4}, - {19, 38, 26}, - {19, 39, 42}, - {19, 40, 13}, - {19, 40, 15}, + {19, 21, 5}, + {19, 22, 27}, + {19, 24, 21}, + {19, 24, 26}, + {19, 28, 40}, + {19, 33, 24}, + {19, 40, 14}, {19, 41, 4}, - {19, 42, 30}, - {19, 42, 39}, - {20, 4, 44}, - {20, 6, 28}, - {20, 6, 37}, - {20, 8, 5}, - {20, 8, 17}, - {20, 8, 41}, + {19, 43, 23}, + {19, 44, 30}, + {20, 4, 23}, + {20, 7, 16}, + {20, 7, 26}, + {20, 10, 13}, {20, 11, 11}, {20, 11, 12}, + {20, 11, 19}, {20, 11, 20}, {20, 11, 25}, {20, 11, 32}, @@ -1358,172 +1357,164 @@ int main(int argc, char** argv) { {20, 12, 20}, {20, 12, 25}, {20, 12, 32}, - {20, 14, 17}, - {20, 14, 20}, - {20, 14, 38}, - {20, 16, 37}, - {20, 17, 40}, - {20, 18, 13}, + {20, 13, 22}, + {20, 16, 4}, {20, 20, 11}, {20, 20, 12}, {20, 20, 20}, {20, 20, 25}, - {20, 20, 30}, {20, 20, 32}, - {20, 21, 40}, - {20, 22, 22}, - {20, 23, 11}, + {20, 23, 8}, + {20, 24, 29}, {20, 25, 11}, {20, 25, 12}, {20, 25, 20}, {20, 25, 25}, - {20, 25, 31}, {20, 25, 32}, - {20, 26, 19}, - {20, 27, 26}, - {20, 27, 32}, - {20, 30, 38}, + {20, 27, 5}, + {20, 31, 5}, {20, 32, 11}, {20, 32, 12}, {20, 32, 20}, {20, 32, 25}, {20, 32, 32}, - {20, 35, 18}, - {20, 35, 42}, - {20, 36, 20}, - {20, 41, 23}, - {20, 41, 44}, - {20, 43, 10}, - {20, 45, 19}, - {21, 4, 5}, - {21, 7, 40}, - {21, 8, 18}, - {21, 10, 40}, - {21, 12, 40}, - {21, 13, 31}, + {20, 34, 14}, + {20, 35, 39}, + {20, 37, 4}, + {20, 37, 11}, + {20, 41, 16}, + {20, 42, 17}, + {20, 45, 33}, + {21, 5, 15}, + {21, 6, 45}, + {21, 8, 8}, + {21, 9, 15}, + {21, 10, 6}, + {21, 15, 37}, + {21, 19, 30}, + {21, 19, 42}, + {21, 20, 39}, + {21, 21, 18}, {21, 21, 21}, - {21, 22, 24}, - {21, 27, 26}, - {21, 30, 5}, - {21, 30, 41}, - {21, 32, 12}, - {21, 33, 24}, - {21, 33, 42}, - {21, 35, 30}, + {21, 22, 9}, + {21, 24, 16}, + {21, 29, 27}, + {21, 30, 31}, + {21, 31, 27}, + {21, 32, 28}, + {21, 35, 45}, {21, 36, 5}, + {21, 36, 7}, {21, 36, 27}, - {21, 38, 40}, - {21, 40, 30}, - {21, 40, 43}, - {21, 41, 5}, - {21, 41, 42}, - {21, 45, 40}, - {22, 5, 9}, - {22, 6, 27}, - {22, 6, 35}, - {22, 6, 38}, - {22, 7, 27}, - {22, 7, 41}, - {22, 8, 24}, - {22, 8, 30}, + {21, 42, 36}, + {21, 43, 18}, + {21, 43, 38}, + {22, 4, 7}, + {22, 6, 36}, + {22, 8, 34}, {22, 9, 9}, {22, 9, 22}, {22, 9, 32}, - {22, 12, 30}, - {22, 12, 36}, - {22, 13, 7}, - {22, 13, 13}, - {22, 16, 24}, - {22, 16, 42}, - {22, 17, 16}, - {22, 18, 28}, - {22, 20, 11}, - {22, 21, 28}, + {22, 10, 32}, + {22, 12, 38}, + {22, 13, 6}, + {22, 17, 17}, + {22, 17, 28}, {22, 22, 9}, {22, 22, 22}, {22, 22, 32}, - {22, 23, 5}, - {22, 24, 12}, - {22, 24, 20}, - {22, 24, 25}, - {22, 27, 28}, - {22, 28, 9}, - {22, 30, 34}, + {22, 24, 7}, + {22, 25, 15}, + {22, 25, 34}, + {22, 26, 43}, + {22, 28, 13}, + {22, 29, 41}, + {22, 30, 41}, {22, 31, 17}, {22, 32, 9}, - {22, 32, 21}, {22, 32, 22}, {22, 32, 32}, - {22, 32, 33}, - {22, 35, 42}, - {22, 39, 5}, - {23, 6, 44}, - {23, 8, 43}, - {23, 10, 39}, - {23, 11, 8}, - {23, 14, 13}, - {23, 15, 12}, - {23, 17, 16}, - {23, 18, 23}, - {23, 21, 39}, - {23, 22, 20}, - {23, 22, 30}, + {22, 33, 26}, + {22, 33, 27}, + {22, 34, 21}, + {22, 34, 41}, + {22, 37, 17}, + {22, 39, 23}, + {22, 40, 12}, + {22, 41, 12}, + {22, 43, 11}, + {22, 43, 31}, + {22, 43, 39}, + {23, 9, 14}, + {23, 15, 8}, + {23, 15, 28}, + {23, 16, 43}, + {23, 18, 38}, + {23, 19, 24}, + {23, 20, 10}, + {23, 22, 24}, + {23, 23, 15}, {23, 23, 23}, - {23, 28, 29}, - {23, 32, 26}, - {23, 35, 38}, - {23, 35, 40}, - {23, 36, 29}, - {23, 38, 14}, - {23, 39, 5}, - {23, 39, 23}, - {23, 40, 30}, - {23, 41, 18}, - {23, 43, 24}, - {23, 43, 25}, - {23, 43, 37}, - {23, 45, 22}, + {23, 24, 6}, + {23, 24, 33}, + {23, 25, 7}, + {23, 29, 34}, + {23, 31, 4}, + {23, 35, 13}, + {23, 38, 25}, + {23, 40, 8}, + {23, 43, 45}, + {24, 4, 28}, {24, 5, 5}, {24, 5, 13}, {24, 5, 24}, {24, 5, 26}, {24, 5, 32}, - {24, 6, 14}, - {24, 9, 30}, + {24, 8, 33}, + {24, 10, 15}, + {24, 12, 38}, {24, 13, 5}, {24, 13, 13}, - {24, 13, 23}, {24, 13, 24}, {24, 13, 26}, {24, 13, 32}, - {24, 14, 29}, - {24, 17, 4}, - {24, 23, 35}, + {24, 15, 8}, + {24, 16, 5}, + {24, 17, 25}, + {24, 21, 10}, + {24, 21, 11}, + {24, 21, 41}, {24, 24, 5}, {24, 24, 13}, {24, 24, 24}, {24, 24, 26}, - {24, 24, 27}, {24, 24, 32}, + {24, 25, 31}, {24, 26, 5}, {24, 26, 13}, {24, 26, 24}, {24, 26, 26}, {24, 26, 32}, - {24, 27, 9}, - {24, 28, 25}, - {24, 29, 12}, - {24, 29, 26}, - {24, 30, 45}, + {24, 27, 43}, + {24, 28, 4}, + {24, 29, 16}, + {24, 29, 40}, + {24, 30, 5}, + {24, 30, 22}, {24, 32, 5}, {24, 32, 13}, {24, 32, 24}, {24, 32, 26}, {24, 32, 32}, - {24, 37, 14}, - {24, 43, 23}, - {24, 43, 41}, - {24, 45, 24}, + {24, 33, 35}, + {24, 33, 39}, + {24, 36, 15}, + {24, 39, 30}, + {24, 39, 40}, + {24, 41, 33}, + {24, 42, 6}, + {24, 42, 33}, + {24, 44, 26}, {25, 4, 4}, {25, 4, 5}, {25, 4, 7}, @@ -1533,6 +1524,7 @@ int main(int argc, char** argv) { {25, 4, 26}, {25, 4, 28}, {25, 4, 32}, + {25, 4, 36}, {25, 4, 45}, {25, 5, 4}, {25, 5, 5}, @@ -1544,22 +1536,17 @@ int main(int argc, char** argv) { {25, 5, 28}, {25, 5, 32}, {25, 5, 45}, - {25, 6, 6}, - {25, 6, 30}, {25, 7, 4}, {25, 7, 5}, {25, 7, 7}, {25, 7, 9}, {25, 7, 13}, - {25, 7, 16}, - {25, 7, 21}, {25, 7, 25}, {25, 7, 26}, {25, 7, 28}, {25, 7, 32}, - {25, 7, 42}, {25, 7, 45}, - {25, 8, 9}, + {25, 8, 14}, {25, 9, 4}, {25, 9, 5}, {25, 9, 7}, @@ -1591,19 +1578,21 @@ int main(int argc, char** argv) { {25, 13, 28}, {25, 13, 32}, {25, 13, 45}, + {25, 14, 7}, {25, 14, 13}, {25, 14, 14}, {25, 14, 25}, {25, 14, 26}, {25, 14, 32}, - {25, 16, 17}, + {25, 17, 45}, + {25, 18, 5}, + {25, 18, 43}, + {25, 19, 43}, {25, 20, 11}, {25, 20, 12}, {25, 20, 20}, {25, 20, 25}, {25, 20, 32}, - {25, 21, 27}, - {25, 24, 22}, {25, 25, 4}, {25, 25, 5}, {25, 25, 7}, @@ -1624,26 +1613,28 @@ int main(int argc, char** argv) { {25, 26, 9}, {25, 26, 13}, {25, 26, 14}, + {25, 26, 19}, + {25, 26, 24}, {25, 26, 25}, {25, 26, 26}, {25, 26, 28}, {25, 26, 32}, {25, 26, 45}, + {25, 27, 4}, + {25, 27, 19}, {25, 28, 4}, {25, 28, 5}, {25, 28, 7}, {25, 28, 9}, {25, 28, 13}, - {25, 28, 19}, {25, 28, 25}, {25, 28, 26}, {25, 28, 28}, {25, 28, 32}, {25, 28, 45}, - {25, 30, 11}, - {25, 30, 30}, - {25, 30, 43}, - {25, 31, 43}, + {25, 31, 26}, + {25, 31, 27}, + {25, 31, 39}, {25, 32, 4}, {25, 32, 5}, {25, 32, 7}, @@ -1657,13 +1648,19 @@ int main(int argc, char** argv) { {25, 32, 26}, {25, 32, 28}, {25, 32, 32}, + {25, 32, 39}, {25, 32, 45}, - {25, 34, 26}, - {25, 38, 5}, - {25, 40, 8}, - {25, 40, 24}, - {25, 42, 38}, - {25, 44, 11}, + {25, 35, 14}, + {25, 35, 41}, + {25, 38, 39}, + {25, 40, 11}, + {25, 41, 18}, + {25, 41, 23}, + {25, 43, 16}, + {25, 43, 42}, + {25, 44, 6}, + {25, 44, 28}, + {25, 44, 38}, {25, 45, 4}, {25, 45, 5}, {25, 45, 7}, @@ -1679,7 +1676,7 @@ int main(int argc, char** argv) { {26, 4, 7}, {26, 4, 9}, {26, 4, 13}, - {26, 4, 20}, + {26, 4, 14}, {26, 4, 25}, {26, 4, 26}, {26, 4, 28}, @@ -1696,8 +1693,8 @@ int main(int argc, char** argv) { {26, 5, 26}, {26, 5, 28}, {26, 5, 32}, + {26, 5, 42}, {26, 5, 45}, - {26, 6, 44}, {26, 7, 4}, {26, 7, 5}, {26, 7, 7}, @@ -1707,7 +1704,6 @@ int main(int argc, char** argv) { {26, 7, 26}, {26, 7, 28}, {26, 7, 32}, - {26, 7, 33}, {26, 7, 45}, {26, 9, 4}, {26, 9, 5}, @@ -1717,10 +1713,9 @@ int main(int argc, char** argv) { {26, 9, 25}, {26, 9, 26}, {26, 9, 28}, - {26, 9, 30}, {26, 9, 32}, {26, 9, 45}, - {26, 10, 38}, + {26, 10, 17}, {26, 12, 5}, {26, 12, 12}, {26, 12, 13}, @@ -1733,25 +1728,24 @@ int main(int argc, char** argv) { {26, 13, 12}, {26, 13, 13}, {26, 13, 14}, + {26, 13, 23}, {26, 13, 24}, {26, 13, 25}, {26, 13, 26}, {26, 13, 28}, {26, 13, 32}, {26, 13, 45}, - {26, 14, 4}, {26, 14, 13}, {26, 14, 14}, - {26, 14, 15}, {26, 14, 25}, {26, 14, 26}, {26, 14, 32}, - {26, 15, 21}, - {26, 17, 31}, - {26, 18, 40}, - {26, 20, 27}, - {26, 21, 8}, - {26, 23, 36}, + {26, 15, 13}, + {26, 16, 45}, + {26, 18, 19}, + {26, 19, 29}, + {26, 19, 44}, + {26, 22, 41}, {26, 24, 5}, {26, 24, 13}, {26, 24, 24}, @@ -1767,7 +1761,6 @@ int main(int argc, char** argv) { {26, 25, 26}, {26, 25, 28}, {26, 25, 32}, - {26, 25, 33}, {26, 25, 45}, {26, 26, 4}, {26, 26, 5}, @@ -1782,20 +1775,18 @@ int main(int argc, char** argv) { {26, 26, 28}, {26, 26, 32}, {26, 26, 45}, + {26, 27, 23}, {26, 28, 4}, {26, 28, 5}, {26, 28, 7}, {26, 28, 9}, - {26, 28, 10}, {26, 28, 13}, - {26, 28, 24}, {26, 28, 25}, {26, 28, 26}, {26, 28, 28}, {26, 28, 32}, {26, 28, 45}, - {26, 29, 18}, - {26, 29, 22}, + {26, 29, 34}, {26, 32, 4}, {26, 32, 5}, {26, 32, 7}, @@ -1809,53 +1800,37 @@ int main(int argc, char** argv) { {26, 32, 28}, {26, 32, 32}, {26, 32, 45}, - {26, 35, 31}, - {26, 36, 21}, - {26, 36, 43}, - {26, 37, 39}, - {26, 40, 32}, - {26, 41, 23}, - {26, 44, 12}, + {26, 33, 16}, {26, 45, 4}, {26, 45, 5}, {26, 45, 7}, {26, 45, 9}, {26, 45, 13}, - {26, 45, 18}, {26, 45, 25}, {26, 45, 26}, {26, 45, 28}, {26, 45, 32}, {26, 45, 45}, - {27, 5, 35}, - {27, 5, 39}, - {27, 7, 20}, - {27, 8, 15}, - {27, 8, 41}, - {27, 12, 12}, - {27, 12, 19}, - {27, 13, 26}, - {27, 13, 28}, - {27, 13, 45}, - {27, 15, 21}, - {27, 23, 32}, - {27, 24, 8}, - {27, 24, 16}, + {27, 8, 28}, + {27, 10, 10}, + {27, 10, 41}, + {27, 12, 30}, + {27, 14, 43}, + {27, 17, 21}, + {27, 18, 9}, + {27, 19, 30}, + {27, 25, 19}, + {27, 26, 6}, + {27, 26, 29}, {27, 27, 27}, - {27, 28, 4}, - {27, 28, 41}, - {27, 29, 4}, - {27, 29, 45}, - {27, 31, 14}, - {27, 32, 7}, - {27, 35, 22}, - {27, 35, 44}, - {27, 38, 27}, - {27, 38, 29}, - {27, 39, 38}, - {27, 43, 16}, - {27, 43, 32}, - {27, 45, 41}, + {27, 30, 19}, + {27, 30, 27}, + {27, 30, 32}, + {27, 31, 19}, + {27, 32, 12}, + {27, 33, 5}, + {27, 33, 38}, + {27, 44, 23}, {28, 4, 4}, {28, 4, 5}, {28, 4, 7}, @@ -1871,13 +1846,13 @@ int main(int argc, char** argv) { {28, 5, 7}, {28, 5, 9}, {28, 5, 13}, - {28, 5, 21}, + {28, 5, 15}, {28, 5, 25}, {28, 5, 26}, {28, 5, 28}, {28, 5, 32}, {28, 5, 45}, - {28, 6, 20}, + {28, 6, 10}, {28, 7, 4}, {28, 7, 5}, {28, 7, 7}, @@ -1898,6 +1873,7 @@ int main(int argc, char** argv) { {28, 9, 28}, {28, 9, 32}, {28, 9, 45}, + {28, 11, 43}, {28, 13, 4}, {28, 13, 5}, {28, 13, 7}, @@ -1908,14 +1884,12 @@ int main(int argc, char** argv) { {28, 13, 28}, {28, 13, 32}, {28, 13, 45}, - {28, 15, 17}, - {28, 15, 45}, - {28, 17, 42}, - {28, 18, 26}, - {28, 21, 25}, - {28, 21, 30}, - {28, 22, 7}, - {28, 22, 16}, + {28, 14, 15}, + {28, 15, 37}, + {28, 16, 37}, + {28, 17, 25}, + {28, 20, 5}, + {28, 24, 33}, {28, 25, 4}, {28, 25, 5}, {28, 25, 7}, @@ -1924,19 +1898,20 @@ int main(int argc, char** argv) { {28, 25, 25}, {28, 25, 26}, {28, 25, 28}, - {28, 25, 29}, {28, 25, 32}, {28, 25, 45}, {28, 26, 4}, {28, 26, 5}, {28, 26, 7}, {28, 26, 9}, + {28, 26, 12}, {28, 26, 13}, {28, 26, 25}, {28, 26, 26}, {28, 26, 28}, {28, 26, 32}, {28, 26, 45}, + {28, 27, 35}, {28, 28, 4}, {28, 28, 5}, {28, 28, 7}, @@ -1946,10 +1921,9 @@ int main(int argc, char** argv) { {28, 28, 26}, {28, 28, 28}, {28, 28, 32}, - {28, 28, 44}, {28, 28, 45}, - {28, 30, 24}, - {28, 31, 30}, + {28, 30, 44}, + {28, 31, 32}, {28, 32, 4}, {28, 32, 5}, {28, 32, 7}, @@ -1960,14 +1934,14 @@ int main(int argc, char** argv) { {28, 32, 28}, {28, 32, 32}, {28, 32, 45}, - {28, 33, 20}, - {28, 34, 6}, - {28, 36, 34}, - {28, 37, 24}, - {28, 40, 29}, - {28, 42, 24}, - {28, 42, 27}, - {28, 43, 6}, + {28, 33, 28}, + {28, 34, 22}, + {28, 35, 24}, + {28, 35, 36}, + {28, 39, 8}, + {28, 40, 39}, + {28, 42, 17}, + {28, 42, 19}, {28, 45, 4}, {28, 45, 5}, {28, 45, 7}, @@ -1978,87 +1952,112 @@ int main(int argc, char** argv) { {28, 45, 28}, {28, 45, 32}, {28, 45, 45}, - {29, 4, 42}, - {29, 5, 10}, - {29, 7, 20}, - {29, 9, 22}, - {29, 10, 28}, - {29, 10, 30}, - {29, 11, 22}, - {29, 13, 40}, + {29, 8, 36}, + {29, 9, 10}, + {29, 11, 6}, + {29, 12, 11}, + {29, 13, 26}, {29, 14, 14}, {29, 14, 16}, {29, 14, 29}, {29, 14, 32}, - {29, 15, 25}, + {29, 15, 15}, {29, 16, 14}, {29, 16, 16}, + {29, 16, 18}, {29, 16, 29}, - {29, 21, 35}, - {29, 27, 31}, - {29, 27, 32}, - {29, 28, 24}, + {29, 17, 6}, + {29, 18, 20}, + {29, 19, 21}, + {29, 19, 32}, + {29, 20, 21}, + {29, 24, 39}, + {29, 27, 36}, {29, 29, 14}, {29, 29, 16}, {29, 29, 29}, {29, 29, 32}, - {29, 29, 41}, - {29, 30, 5}, + {29, 30, 12}, + {29, 31, 22}, + {29, 31, 39}, {29, 32, 14}, {29, 32, 29}, {29, 32, 32}, - {29, 39, 29}, - {29, 40, 41}, - {29, 41, 30}, - {29, 43, 41}, - {29, 44, 26}, - {29, 44, 42}, - {30, 5, 23}, - {30, 5, 33}, - {30, 7, 16}, - {30, 12, 6}, - {30, 15, 5}, - {30, 17, 10}, - {30, 17, 44}, - {30, 18, 8}, - {30, 19, 31}, - {30, 26, 24}, - {30, 26, 33}, - {30, 26, 41}, - {30, 28, 23}, + {29, 32, 34}, + {29, 33, 12}, + {29, 33, 19}, + {29, 34, 33}, + {29, 37, 13}, + {29, 38, 44}, + {29, 42, 34}, + {29, 43, 6}, + {29, 43, 21}, + {29, 44, 28}, + {29, 44, 29}, + {30, 4, 19}, + {30, 6, 25}, + {30, 6, 39}, + {30, 6, 41}, + {30, 7, 22}, + {30, 8, 6}, + {30, 8, 21}, + {30, 9, 13}, + {30, 9, 43}, + {30, 12, 21}, + {30, 12, 34}, + {30, 13, 34}, + {30, 14, 4}, + {30, 14, 15}, + {30, 14, 22}, + {30, 14, 32}, + {30, 17, 36}, + {30, 23, 7}, + {30, 24, 34}, + {30, 24, 44}, + {30, 27, 8}, {30, 30, 30}, - {30, 32, 23}, - {30, 33, 17}, - {30, 36, 40}, - {30, 37, 45}, - {30, 40, 14}, - {30, 40, 19}, - {30, 45, 7}, - {31, 4, 22}, - {31, 5, 20}, - {31, 6, 30}, - {31, 7, 38}, - {31, 9, 17}, - {31, 9, 37}, - {31, 9, 42}, - {31, 10, 26}, - {31, 10, 30}, + {30, 32, 31}, + {30, 33, 7}, + {30, 33, 24}, + {30, 34, 5}, + {30, 34, 10}, + {30, 35, 28}, + {30, 35, 38}, + {30, 39, 6}, + {30, 40, 39}, + {30, 43, 14}, + {30, 44, 44}, + {31, 5, 44}, + {31, 6, 19}, + {31, 7, 28}, + {31, 8, 14}, + {31, 10, 34}, {31, 10, 38}, - {31, 11, 5}, - {31, 13, 17}, - {31, 14, 15}, - {31, 21, 16}, - {31, 22, 8}, - {31, 24, 33}, - {31, 25, 24}, - {31, 25, 38}, - {31, 27, 35}, - {31, 30, 14}, + {31, 11, 8}, + {31, 11, 13}, + {31, 11, 45}, + {31, 14, 44}, + {31, 16, 18}, + {31, 17, 45}, + {31, 18, 7}, + {31, 22, 34}, + {31, 23, 40}, + {31, 24, 7}, + {31, 25, 28}, + {31, 25, 39}, + {31, 26, 22}, + {31, 28, 23}, {31, 31, 31}, - {31, 38, 6}, - {31, 38, 31}, - {31, 39, 5}, - {31, 45, 12}, + {31, 31, 35}, + {31, 33, 45}, + {31, 40, 11}, + {31, 41, 5}, + {31, 41, 9}, + {31, 41, 31}, + {31, 42, 44}, + {31, 43, 29}, + {31, 43, 30}, + {31, 45, 11}, {32, 4, 4}, {32, 4, 5}, {32, 4, 7}, @@ -2068,8 +2067,6 @@ int main(int argc, char** argv) { {32, 4, 26}, {32, 4, 28}, {32, 4, 32}, - {32, 4, 33}, - {32, 4, 35}, {32, 4, 45}, {32, 5, 4}, {32, 5, 5}, @@ -2084,7 +2081,7 @@ int main(int argc, char** argv) { {32, 5, 28}, {32, 5, 32}, {32, 5, 45}, - {32, 6, 9}, + {32, 6, 44}, {32, 7, 4}, {32, 7, 5}, {32, 7, 7}, @@ -2130,6 +2127,7 @@ int main(int argc, char** argv) { {32, 12, 32}, {32, 13, 4}, {32, 13, 5}, + {32, 13, 6}, {32, 13, 7}, {32, 13, 9}, {32, 13, 12}, @@ -2141,30 +2139,27 @@ int main(int argc, char** argv) { {32, 13, 26}, {32, 13, 28}, {32, 13, 32}, - {32, 13, 33}, - {32, 13, 40}, + {32, 13, 34}, {32, 13, 45}, - {32, 14, 11}, {32, 14, 13}, {32, 14, 14}, {32, 14, 25}, {32, 14, 26}, {32, 14, 29}, {32, 14, 32}, + {32, 15, 35}, {32, 16, 5}, {32, 16, 12}, {32, 16, 13}, {32, 16, 16}, + {32, 16, 21}, {32, 16, 32}, - {32, 17, 8}, - {32, 18, 39}, - {32, 19, 13}, - {32, 19, 21}, {32, 20, 11}, {32, 20, 12}, {32, 20, 20}, {32, 20, 25}, {32, 20, 32}, + {32, 21, 41}, {32, 22, 9}, {32, 22, 22}, {32, 22, 32}, @@ -2185,7 +2180,6 @@ int main(int argc, char** argv) { {32, 25, 25}, {32, 25, 26}, {32, 25, 28}, - {32, 25, 31}, {32, 25, 32}, {32, 25, 45}, {32, 26, 4}, @@ -2201,6 +2195,7 @@ int main(int argc, char** argv) { {32, 26, 28}, {32, 26, 32}, {32, 26, 45}, + {32, 27, 40}, {32, 28, 4}, {32, 28, 5}, {32, 28, 7}, @@ -2208,12 +2203,14 @@ int main(int argc, char** argv) { {32, 28, 13}, {32, 28, 25}, {32, 28, 26}, + {32, 28, 27}, {32, 28, 28}, {32, 28, 32}, {32, 28, 45}, {32, 29, 14}, {32, 29, 29}, {32, 29, 32}, + {32, 30, 9}, {32, 32, 4}, {32, 32, 5}, {32, 32, 7}, @@ -2233,17 +2230,17 @@ int main(int argc, char** argv) { {32, 32, 29}, {32, 32, 32}, {32, 32, 45}, - {32, 33, 37}, - {32, 33, 43}, - {32, 34, 32}, - {32, 34, 34}, - {32, 37, 17}, - {32, 37, 27}, - {32, 38, 11}, - {32, 38, 38}, - {32, 39, 16}, - {32, 42, 25}, - {32, 43, 23}, + {32, 35, 26}, + {32, 36, 24}, + {32, 36, 25}, + {32, 36, 31}, + {32, 37, 26}, + {32, 38, 14}, + {32, 38, 25}, + {32, 40, 11}, + {32, 42, 31}, + {32, 43, 8}, + {32, 43, 40}, {32, 45, 4}, {32, 45, 5}, {32, 45, 7}, @@ -2254,293 +2251,302 @@ int main(int argc, char** argv) { {32, 45, 28}, {32, 45, 32}, {32, 45, 45}, - {33, 4, 4}, - {33, 4, 27}, - {33, 4, 37}, - {33, 7, 5}, - {33, 8, 24}, - {33, 10, 4}, - {33, 10, 14}, - {33, 11, 4}, - {33, 15, 19}, - {33, 16, 38}, - {33, 17, 16}, - {33, 21, 13}, - {33, 23, 6}, - {33, 23, 8}, - {33, 24, 38}, - {33, 25, 8}, - {33, 26, 13}, - {33, 28, 10}, - {33, 29, 45}, - {33, 30, 18}, - {33, 33, 40}, - {33, 35, 29}, - {33, 40, 39}, - {33, 41, 5}, - {33, 42, 44}, - {33, 44, 24}, - {33, 45, 29}, - {34, 6, 21}, - {34, 7, 35}, - {34, 8, 5}, - {34, 8, 27}, - {34, 16, 5}, - {34, 16, 25}, - {34, 17, 30}, - {34, 18, 10}, - {34, 19, 14}, - {34, 19, 24}, - {34, 21, 5}, - {34, 21, 33}, - {34, 22, 15}, + {33, 4, 7}, + {33, 5, 12}, + {33, 6, 16}, + {33, 10, 8}, + {33, 11, 7}, + {33, 12, 25}, + {33, 12, 37}, + {33, 12, 41}, + {33, 13, 33}, + {33, 17, 45}, + {33, 19, 28}, + {33, 21, 20}, + {33, 22, 7}, + {33, 23, 44}, + {33, 24, 41}, + {33, 26, 35}, + {33, 27, 24}, + {33, 29, 32}, + {33, 31, 32}, + {33, 33, 21}, + {33, 33, 32}, + {33, 34, 15}, + {33, 34, 37}, + {33, 35, 17}, + {33, 35, 32}, + {33, 35, 33}, + {33, 36, 5}, + {33, 39, 20}, + {33, 40, 42}, + {33, 41, 40}, + {33, 42, 38}, + {33, 44, 11}, + {34, 4, 35}, + {34, 5, 16}, + {34, 5, 25}, + {34, 6, 42}, + {34, 7, 4}, + {34, 9, 24}, + {34, 12, 8}, + {34, 12, 37}, + {34, 12, 39}, + {34, 14, 40}, + {34, 15, 34}, + {34, 17, 13}, + {34, 17, 39}, + {34, 22, 38}, + {34, 22, 45}, + {34, 23, 38}, + {34, 24, 24}, + {34, 25, 34}, {34, 26, 11}, - {34, 26, 24}, - {34, 27, 17}, - {34, 27, 43}, - {34, 33, 16}, - {34, 36, 40}, - {34, 40, 4}, - {34, 40, 26}, - {34, 41, 8}, - {34, 42, 4}, - {34, 44, 22}, - {35, 5, 12}, - {35, 7, 11}, - {35, 7, 13}, - {35, 8, 4}, - {35, 10, 5}, - {35, 10, 17}, - {35, 13, 13}, - {35, 15, 5}, - {35, 15, 8}, - {35, 20, 12}, - {35, 23, 31}, - {35, 23, 35}, - {35, 27, 18}, - {35, 29, 37}, - {35, 31, 19}, - {35, 32, 23}, - {35, 34, 33}, - {35, 36, 7}, - {35, 40, 19}, - {35, 45, 12}, - {36, 6, 13}, - {36, 6, 32}, - {36, 7, 4}, - {36, 10, 7}, - {36, 10, 8}, - {36, 13, 44}, - {36, 14, 22}, - {36, 15, 9}, - {36, 16, 26}, - {36, 16, 37}, - {36, 16, 45}, - {36, 17, 30}, - {36, 21, 22}, - {36, 22, 23}, - {36, 22, 36}, - {36, 23, 15}, - {36, 26, 8}, - {36, 26, 15}, - {36, 29, 33}, - {36, 31, 11}, - {36, 31, 22}, - {36, 33, 6}, - {36, 40, 20}, - {36, 40, 25}, - {36, 41, 7}, - {36, 41, 33}, - {36, 42, 12}, - {36, 42, 19}, - {36, 44, 5}, - {36, 44, 8}, - {36, 44, 31}, - {37, 6, 45}, - {37, 8, 9}, - {37, 8, 22}, - {37, 11, 35}, - {37, 12, 30}, - {37, 14, 36}, - {37, 14, 41}, - {37, 14, 42}, - {37, 17, 41}, - {37, 18, 28}, - {37, 19, 23}, - {37, 23, 4}, - {37, 23, 9}, - {37, 33, 13}, - {37, 34, 4}, - {37, 34, 19}, - {37, 35, 23}, - {37, 35, 28}, - {37, 36, 8}, - {37, 37, 24}, - {37, 37, 33}, - {37, 40, 15}, - {37, 40, 33}, - {37, 44, 6}, - {38, 9, 9}, - {38, 10, 22}, - {38, 12, 39}, - {38, 13, 30}, - {38, 14, 6}, - {38, 18, 42}, - {38, 20, 35}, - {38, 22, 9}, - {38, 23, 18}, - {38, 23, 36}, - {38, 24, 27}, - {38, 28, 12}, - {38, 28, 24}, - {38, 28, 32}, + {34, 26, 31}, + {34, 27, 5}, + {34, 30, 23}, + {34, 31, 41}, + {34, 32, 7}, + {34, 33, 12}, + {34, 35, 10}, + {34, 36, 23}, + {34, 37, 20}, + {34, 37, 38}, + {34, 37, 42}, + {34, 38, 23}, + {34, 44, 21}, + {34, 44, 25}, + {34, 45, 9}, + {35, 7, 5}, + {35, 8, 31}, + {35, 9, 11}, + {35, 9, 23}, + {35, 10, 33}, + {35, 11, 42}, + {35, 15, 29}, + {35, 16, 11}, + {35, 16, 21}, + {35, 16, 30}, + {35, 19, 44}, + {35, 20, 21}, + {35, 21, 6}, + {35, 22, 9}, + {35, 24, 25}, + {35, 30, 4}, + {35, 36, 35}, + {35, 39, 39}, + {35, 40, 37}, + {35, 42, 29}, + {35, 44, 8}, + {35, 45, 37}, + {36, 6, 37}, + {36, 10, 13}, + {36, 11, 11}, + {36, 12, 31}, + {36, 16, 28}, + {36, 17, 16}, + {36, 19, 13}, + {36, 20, 22}, + {36, 21, 6}, + {36, 23, 4}, + {36, 23, 18}, + {36, 25, 43}, + {36, 30, 21}, + {36, 34, 44}, + {36, 39, 44}, + {36, 44, 11}, + {37, 4, 41}, + {37, 7, 16}, + {37, 10, 15}, + {37, 10, 27}, + {37, 10, 37}, + {37, 11, 4}, + {37, 12, 4}, + {37, 12, 6}, + {37, 14, 4}, + {37, 14, 11}, + {37, 18, 40}, + {37, 19, 39}, + {37, 24, 40}, + {37, 24, 41}, + {37, 25, 8}, + {37, 25, 35}, + {37, 26, 9}, + {37, 29, 12}, + {37, 29, 15}, + {37, 29, 44}, + {37, 30, 42}, + {37, 32, 39}, + {37, 32, 40}, + {37, 33, 43}, + {37, 45, 32}, + {38, 4, 27}, + {38, 5, 40}, + {38, 7, 42}, + {38, 10, 24}, + {38, 13, 33}, + {38, 18, 36}, + {38, 18, 40}, + {38, 21, 6}, + {38, 25, 13}, + {38, 27, 18}, {38, 28, 37}, - {38, 33, 34}, - {38, 35, 30}, - {38, 36, 9}, - {38, 36, 27}, - {38, 36, 34}, - {38, 42, 36}, - {38, 45, 34}, - {39, 4, 29}, - {39, 7, 35}, - {39, 8, 36}, - {39, 9, 42}, - {39, 11, 26}, - {39, 16, 7}, - {39, 17, 37}, - {39, 19, 37}, - {39, 21, 42}, - {39, 22, 7}, - {39, 22, 38}, - {39, 25, 11}, - {39, 26, 31}, - {39, 28, 5}, - {39, 34, 40}, - {39, 37, 27}, - {39, 40, 31}, - {39, 44, 14}, - {39, 44, 35}, - {39, 44, 36}, - {40, 4, 28}, - {40, 7, 36}, - {40, 10, 22}, - {40, 17, 26}, - {40, 19, 14}, - {40, 19, 31}, - {40, 20, 37}, - {40, 22, 31}, - {40, 25, 7}, - {40, 26, 9}, - {40, 27, 4}, - {40, 27, 44}, - {40, 29, 14}, - {40, 30, 11}, - {40, 30, 34}, - {40, 32, 7}, - {40, 33, 34}, - {40, 33, 35}, - {40, 38, 27}, - {40, 39, 20}, - {40, 39, 25}, - {40, 42, 44}, - {40, 45, 19}, - {41, 4, 29}, - {41, 11, 4}, - {41, 14, 25}, - {41, 16, 18}, - {41, 17, 13}, - {41, 18, 21}, - {41, 19, 45}, - {41, 20, 44}, - {41, 22, 9}, - {41, 25, 12}, - {41, 25, 37}, - {41, 26, 16}, - {41, 28, 22}, - {41, 32, 23}, + {38, 32, 45}, + {38, 34, 33}, + {38, 36, 17}, + {38, 37, 45}, + {38, 39, 18}, + {38, 44, 30}, + {39, 5, 45}, + {39, 6, 20}, + {39, 13, 10}, + {39, 16, 12}, + {39, 18, 39}, + {39, 21, 7}, + {39, 21, 15}, + {39, 24, 10}, + {39, 25, 16}, + {39, 26, 32}, + {39, 30, 11}, + {39, 30, 27}, + {39, 31, 27}, + {39, 33, 35}, + {39, 35, 22}, + {39, 35, 30}, + {39, 39, 19}, + {39, 39, 21}, + {39, 39, 40}, + {39, 41, 19}, + {39, 42, 26}, + {39, 43, 15}, + {39, 44, 12}, + {39, 45, 21}, + {40, 4, 16}, + {40, 5, 8}, + {40, 5, 29}, + {40, 5, 31}, + {40, 8, 13}, + {40, 8, 15}, + {40, 8, 38}, + {40, 8, 39}, + {40, 9, 43}, + {40, 17, 38}, + {40, 18, 15}, + {40, 18, 38}, + {40, 19, 24}, + {40, 21, 14}, + {40, 26, 13}, + {40, 28, 34}, + {40, 31, 23}, + {40, 32, 38}, + {40, 33, 24}, + {40, 38, 10}, + {40, 39, 45}, + {40, 41, 21}, + {40, 43, 23}, + {40, 44, 38}, + {40, 45, 17}, + {41, 9, 6}, + {41, 12, 21}, + {41, 13, 7}, + {41, 14, 30}, + {41, 15, 6}, + {41, 17, 21}, + {41, 19, 18}, + {41, 20, 37}, + {41, 23, 15}, + {41, 24, 7}, + {41, 28, 43}, + {41, 29, 25}, {41, 33, 25}, - {41, 34, 24}, - {41, 44, 33}, - {42, 5, 37}, - {42, 7, 40}, - {42, 10, 18}, - {42, 10, 35}, - {42, 12, 34}, - {42, 14, 15}, - {42, 15, 11}, - {42, 17, 10}, - {42, 19, 28}, - {42, 20, 36}, - {42, 22, 20}, - {42, 22, 22}, - {42, 22, 36}, - {42, 23, 36}, - {42, 26, 24}, - {42, 31, 20}, - {42, 32, 30}, - {42, 33, 18}, + {41, 37, 42}, + {41, 42, 42}, + {41, 45, 39}, + {42, 4, 18}, + {42, 4, 34}, + {42, 5, 13}, + {42, 8, 5}, + {42, 8, 25}, + {42, 8, 39}, + {42, 9, 4}, + {42, 9, 11}, + {42, 10, 36}, + {42, 13, 44}, + {42, 16, 13}, + {42, 18, 31}, + {42, 21, 42}, + {42, 23, 12}, + {42, 23, 15}, + {42, 23, 28}, + {42, 24, 15}, + {42, 26, 42}, + {42, 28, 8}, + {42, 28, 17}, {42, 34, 8}, - {42, 35, 24}, - {42, 37, 10}, - {42, 39, 7}, - {42, 39, 37}, - {42, 40, 20}, - {42, 40, 32}, - {42, 41, 13}, - {43, 4, 22}, - {43, 4, 39}, - {43, 5, 12}, - {43, 5, 26}, - {43, 5, 38}, - {43, 6, 22}, - {43, 10, 7}, - {43, 11, 38}, - {43, 12, 10}, - {43, 12, 27}, - {43, 12, 40}, - {43, 14, 34}, - {43, 16, 4}, - {43, 21, 25}, - {43, 23, 38}, - {43, 26, 34}, - {43, 29, 18}, - {43, 30, 29}, - {43, 31, 28}, - {43, 38, 26}, - {43, 39, 6}, - {43, 42, 7}, - {43, 43, 39}, - {43, 44, 30}, - {43, 45, 21}, - {44, 5, 10}, - {44, 8, 35}, - {44, 10, 7}, - {44, 10, 37}, - {44, 11, 11}, - {44, 12, 21}, - {44, 15, 8}, - {44, 17, 9}, - {44, 17, 21}, - {44, 22, 24}, - {44, 23, 44}, - {44, 25, 41}, - {44, 26, 40}, - {44, 28, 36}, - {44, 31, 7}, - {44, 32, 27}, - {44, 35, 9}, - {44, 36, 40}, - {44, 37, 5}, - {44, 37, 21}, - {44, 37, 22}, - {44, 38, 32}, - {44, 39, 14}, - {44, 39, 35}, - {44, 40, 12}, - {44, 40, 20}, - {44, 40, 43}, - {44, 45, 45}, + {42, 34, 11}, + {42, 34, 44}, + {42, 35, 40}, + {42, 38, 18}, + {42, 38, 35}, + {42, 39, 18}, + {42, 39, 27}, + {42, 40, 43}, + {42, 42, 35}, + {42, 43, 15}, + {43, 4, 42}, + {43, 6, 18}, + {43, 6, 25}, + {43, 7, 14}, + {43, 11, 26}, + {43, 12, 26}, + {43, 14, 25}, + {43, 15, 20}, + {43, 22, 41}, + {43, 25, 12}, + {43, 25, 20}, + {43, 27, 7}, + {43, 27, 39}, + {43, 28, 42}, + {43, 29, 37}, + {43, 31, 5}, + {43, 31, 10}, + {43, 31, 34}, + {43, 33, 18}, + {43, 33, 32}, + {43, 34, 17}, + {43, 36, 37}, + {43, 39, 27}, + {43, 43, 12}, + {43, 45, 11}, + {44, 5, 24}, + {44, 7, 13}, + {44, 7, 20}, + {44, 11, 26}, + {44, 15, 21}, + {44, 17, 18}, + {44, 17, 41}, + {44, 17, 42}, + {44, 18, 23}, + {44, 18, 41}, + {44, 21, 37}, + {44, 22, 37}, + {44, 25, 20}, + {44, 28, 15}, + {44, 29, 37}, + {44, 31, 16}, + {44, 33, 31}, + {44, 33, 36}, + {44, 33, 38}, + {44, 35, 12}, + {44, 36, 44}, + {44, 38, 18}, + {44, 39, 10}, + {44, 39, 11}, + {44, 39, 22}, + {44, 40, 19}, + {44, 45, 9}, + {44, 45, 18}, + {44, 45, 37}, {45, 4, 4}, {45, 4, 5}, {45, 4, 7}, @@ -2549,14 +2555,12 @@ int main(int argc, char** argv) { {45, 4, 25}, {45, 4, 26}, {45, 4, 28}, - {45, 4, 29}, {45, 4, 32}, {45, 4, 45}, {45, 5, 4}, {45, 5, 5}, {45, 5, 7}, {45, 5, 9}, - {45, 5, 12}, {45, 5, 13}, {45, 5, 25}, {45, 5, 26}, @@ -2573,7 +2577,7 @@ int main(int argc, char** argv) { {45, 7, 28}, {45, 7, 32}, {45, 7, 45}, - {45, 8, 30}, + {45, 8, 36}, {45, 9, 4}, {45, 9, 5}, {45, 9, 7}, @@ -2584,23 +2588,22 @@ int main(int argc, char** argv) { {45, 9, 28}, {45, 9, 32}, {45, 9, 45}, - {45, 10, 18}, + {45, 11, 4}, + {45, 11, 43}, {45, 13, 4}, {45, 13, 5}, {45, 13, 7}, {45, 13, 9}, {45, 13, 13}, + {45, 13, 22}, + {45, 13, 23}, {45, 13, 25}, {45, 13, 26}, {45, 13, 28}, {45, 13, 32}, {45, 13, 45}, - {45, 16, 18}, - {45, 20, 25}, - {45, 22, 31}, - {45, 22, 34}, - {45, 23, 20}, - {45, 24, 29}, + {45, 18, 30}, + {45, 23, 18}, {45, 25, 4}, {45, 25, 5}, {45, 25, 7}, @@ -2631,10 +2634,6 @@ int main(int argc, char** argv) { {45, 28, 28}, {45, 28, 32}, {45, 28, 45}, - {45, 30, 6}, - {45, 30, 14}, - {45, 31, 9}, - {45, 31, 41}, {45, 32, 4}, {45, 32, 5}, {45, 32, 7}, @@ -2644,16 +2643,17 @@ int main(int argc, char** argv) { {45, 32, 26}, {45, 32, 28}, {45, 32, 32}, + {45, 32, 37}, {45, 32, 45}, - {45, 36, 41}, - {45, 37, 9}, - {45, 38, 9}, - {45, 38, 12}, - {45, 40, 38}, - {45, 43, 11}, - {45, 43, 14}, - {45, 44, 30}, - {45, 44, 36}, + {45, 33, 38}, + {45, 34, 44}, + {45, 35, 38}, + {45, 35, 42}, + {45, 36, 17}, + {45, 36, 36}, + {45, 43, 23}, + {45, 43, 35}, + {45, 44, 22}, {45, 45, 4}, {45, 45, 5}, {45, 45, 7}, diff --git a/develop/type/array_i1d_obj.html b/develop/type/array_i1d_obj.html index 91d2e2094d3..558917dfc5b 100644 --- a/develop/type/array_i1d_obj.html +++ b/develop/type/array_i1d_obj.html @@ -114,7 +114,7 @@

    Variables

    - low + low
    @@ -169,7 +169,7 @@

    Components

    •
    - + type(array_i1d_type), public,
    - + integer, public,
    - + integer, public
    - + integer, public,
    - + integer, public
    - + integer, public
    - + type(block_nd_r_dp), public
    - + type(block_nd_r_sp), public
    - + type(block_nd_c_dp), public
    - + type(block_nd_c_sp), public
    - + integer, public
    - + complex(kind=real_8), public,
    - + complex(kind=real_4), public,
    - + real(kind=real_8), public,
    - + real(kind=real_4), public,
    - + logical, public
    - + integer, public
    - + integer, public
    - + logical, public
    - + integer, public
    - + integer, public
    - + complex(kind=sp), public,
    - + logical, public
    - + real(kind=dp), public,
    - + logical, public
    - + real(kind=sp), public,
    - + logical, public
    - + complex(kind=dp), public,
    - + logical, public
    - + type(btree_node_structure_i8_cp2d), public
    - + type(btree_node_structure_i8_dp2d), public
    - + type(btree_node_structure_i8_sp2d), public
    - + type(btree_node_structure_i8_zp2d), public
    - + integer, public
    - + integer, public
    - + type(btree_data_cp2d), public,
    - + type(btree_node_i8_cp2d), public,
    - + integer, public
    - + integer, public
    - + type(btree_data_dp2d), public,
    - + type(btree_node_i8_dp2d), public,
    - + integer, public
    - + integer, public
    - + type(btree_data_sp2d), public,
    - + type(btree_node_i8_sp2d), public,
    - + integer, public
    - + integer, public
    - + type(btree_data_zp2d), public,
    - + type(btree_node_i8_zp2d), public,
    - + type(btree_node_i8_cp2d), public,
    - + type(btree_node_i8_dp2d), public,
    - + type(btree_node_i8_sp2d), public,
    - + type(btree_node_i8_zp2d), public,
    - + integer, public
    - + integer, public
    - + type(btree_node_i8_cp2d), public,
    - + integer, public
    - + integer, public
    - + type(btree_node_i8_dp2d), public,
    - + integer, public
    - + integer, public
    - + type(btree_node_i8_sp2d), public,
    - + integer, public
    - + integer, public
    - + type(btree_node_i8_zp2d), public,
    - + integer, public
    - + character(len=1), public
    - + character(len=max_paramter_name_len), public
    - + character(len=1), public
    - + character(len=max_paramter_name_len), public
    - + integer, public
    - + character(len=1), public
    - + character(len=max_paramter_name_len), public
    - + logical, public
    - + character(len=1), public
    - + character(len=max_paramter_name_len), public
    - + integer, public
    - + character(len=1), public
    - + character(len=max_paramter_name_len), public
    - + real(kind=real_8), public
    - + integer, public
    - + type(mp_comm_type), public
    - + logical, public
    - + type(dbcsr_imagedistribution_obj), public
    - + type(dbcsr_imagedistribution_obj), public
    - + type(dbcsr_block_buffer_type), public,
    - + integer, public
    - + type(dbcsr_data_obj), public,
    - + integer, public
    - + type(dbcsr_data_obj), public
    - + type(dbcsr_data_obj), public
    - + integer, public,
    - + integer, public
    - + type(dbcsr_type), public
    - + type(dbcsr_buffer), public
    - + type(dbcsr_buffer), publicCONF_PAR_REAL(name="TAS_SPLIT_FACTOR", val=1.0_real_8, defval=1.0_real_8) +
    + + type(CONF_PAR_LOGICAL), + public + + ::USE_ACC_G2G =CONF_PAR_LOGICAL(name="USE_ACC_G2G", val=.FALSE., defval=.FALSE.) +
    - + integer(kind=int_4), public,
    - + integer(kind=int_8), public,
    - + real(kind=real_4), public,
    - + real(kind=real_8), public,
    - + complex(kind=real_4), public,
    - + complex(kind=real_8), public,
    - + integer, public
    - + integer, public
    - + type(dbcsr_memtype_type), public
    - + integer, public
    - + type(dbcsr_data_area_type), public,
    - + type(dbcsr_distribution_type), public,
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + integer, public
    - + integer, public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + logical, public
    - + type(array_i1d_obj), public
    - + integer, public
    - + type(dbcsr_mp_obj), public
    - + integer, public
    - + integer(kind=keyt), public
    - + integer(kind=valt), public
    - + type(dbcsr_heap_node), public
    - + integer, public
    - + integer, public,
    - + type(dbcsr_heap_node_e), public,
    - + type(dbcsr_imagedistribution_type), public,
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + integer, public
    - + integer, public
    - + integer, public
    - + type(dbcsr_type), public,
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public,
    - + integer, public,
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + integer, public
    - + integer, public
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + type(dbcsr_data_obj), public
    - + integer, public
    - + integer, public
    - + type(dbcsr_logger_type), public,
    - + integer, public
    - + integer, public
    - + type(dbcsr_mp_obj), public
    - + type(dbcsr_data_obj), public
    - + type(dbcsr_mempool_entry_type), public,
    - + type(dbcsr_mempool_entry_type), public,
    - + integer, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + type(acc_stream_type), public
    - + type(dbcsr_mempool_type), public,
    - + real(kind=dp), public
    - + type(dbcsr_memtype_type), public,
    - + integer(kind=int_4), public,
    - + type(dbcsr_work_type), private,
    - + logical, private
    - + integer, private
    - + type(dbcsr_work_type), private,
    - + logical, private
    - + type(dbcsr_data_obj), public
    - + logical, private
    - + logical, private
    - + integer, private,
    - + integer, private,
    - + integer, private,
    - + real(kind=sp), private,
    - + real(kind=real_8), private
    - + integer(kind=int_8), private
    - + type(dbcsr_work_type), private,
    - + type(dbcsr_mm_multrec_type), public,
    - + integer(kind=int_4), public,
    - + type(dbcsr_work_type), private,
    - + logical, private
    - + type(dbcsr_mp_type), public,
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + type(mp_comm_type), public
    - + integer, public,
    - + integer, public
    - + logical, public
    - + type(mp_comm_type), public
    - + type(mp_comm_type), public
    - + integer, public
    - + integer, public
    - + real, public,
    - + type(dbcsr_mutable_type), public,
    - + integer, public
    - + integer, public
    - + type(dbcsr_type), public,
    - + real(kind=real_4), public
    - + real(kind=real_8), public
    - + complex(kind=real_4), public
    - + complex(kind=real_8), public
    - + integer, public
    - + type(dbcsr_tas_distribution_type), public
    - + type(dbcsr_t_pgrid_type), public
    - + integer, public,
    - + type(dbcsr_tas_iterator), public
    - + type(array_list), public
    - + integer, public
    - + type(array_list), public
    - + type(dbcsr_t_pgrid_type), public
    - + integer, public,
    - + logical, public
    - + character(len=default_string_length), public
    - + integer, public,
    - + integer, public,
    - + type(array_list), public
    - + type(array_list), intent(in)
    - + integer, public
    - + integer, intent(in)
    - + integer, public,
    - + type(dbcsr_tas_split_info), public
    - + type(dbcsr_distribution_obj), public
    - + class(dbcsr_tas_distribution), public,
    - + class(dbcsr_tas_distribution), public,
    - + type(dbcsr_tas_split_info), public
    - + type(dbcsr_tas_distribution_type), public
    - + type(dbcsr_iterator), public
    - + type(mp_comm_type), public
    - + integer, public,
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + type(mp_comm_type), public
    - + integer, public,
    - + type(dbcsr_tas_distribution_type), public
    - + class(dbcsr_tas_rowcol_data), public,
    - + class(dbcsr_tas_rowcol_data), public,
    - + type(dbcsr_type), public
    - + integer(kind=int_8), public
    - + integer(kind=int_8), public
    - + integer(kind=int_8), public
    - + integer(kind=int_8), public
    - + logical, public
    - + integer, public
    - + logical, public
    - + character(len=default_string_length), public
    - + type(dbcsr_data_obj), public
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + type(array_i1d_obj), public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + logical, public
    - + type(dbcsr_memtype_type), public
    - + type(dbcsr_block_buffer_obj), public
    - + type(dbcsr_distribution_obj), public
    - + integer, public
    - + type(dbcsr_type), public,
    - + type(dbcsr_data_obj), public
    - + integer, public,
    - + integer, public,
    - + integer, public,
    - + integer, public
    - + integer, public
    - + type(dbcsr_scalar_type), public
    - + integer, public
    - + type(dbcsr_scalar_type), public
    - + integer(kind=int_4), public,
    - + type(call_stat_type), public,
    - + integer, private
    - + character(len=default_string_length), public
    - + integer(kind=int_4), public
    - + integer, private
    - + integer, public
    - + integer, public
    - + integer, public,
    - + type(private_item_p_type_callstackentry), private,
    - + integer, private
    - + type(private_item_p_type_routinereport), private,
    - + integer, private
    - + type(private_item_p_type_routinestat), private,
    - + integer, private
    - + type(private_item_p_type_timerenv), private,
    - + integer, private
    - + integer, public,
    - + integer, private
    - + integer, public,
    - + integer, private
    - + integer, public,
    - + integer, private
    - + integer, public
    - + integer, public
    - + character(len=20), public
    - + integer, public
    - + integer, private
    - + integer, private
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer, public,
    - + integer(kind=int_8), public,
    - + integer, public,
    - + integer, public,
    - + integer, public
    - + logical, public
    - + character(len=default_path_length), private
    - + type(private_item_type_callstackentry), private,
    - + type(private_item_type_i4tuple_callstat), private,
    - + type(private_item_type_routinereport), private,
    - + type(private_item_type_routinestat), private,
    - + type(private_item_type_str_i4), private,
    - + type(private_item_type_timerenv), private,
    - + type(callstack_entry_type), private
    - + integer(kind=int_4), private,
    - + type(call_stat_type), private,
    - + integer(kind=int_8), private
    - + type(private_item_type_i4tuple_callstat), private,
    - + type(routine_report_type), private,
    - + type(routine_stat_type), private,
    - + character(len=default_string_length), private
    - + integer(kind=int_4), private
    - + integer(kind=int_8), private
    - + type(private_item_type_str_i4), private,
    - + type(timer_env_type), private,
    - + character(len=default_string_length), public
    - + integer, public
    - + character(len=default_string_length), public
    - + logical, public
    - + integer, public,
    - + type(acc_stream_type), public
    - + integer, public
    - + integer, public
    - + integer, public
    - + integer(kind=int_4), public,
    - + integer(kind=int_4), public,
    - + integer, public
    - + type(dict_str_i4_type), public
    - + integer, public
    - + character(len=13), public