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Refactor: remove lcao_fun.cpp (#5481) Container #172: Commit b0503e4 pushed by mohanchen
November 14, 2024 15:27 3s develop
develop
November 14, 2024 15:27 3s
Tools: support molden file generation via NAO2GTO (#4937) Container #171: Commit 111073b pushed by mohanchen
August 9, 2024 19:50 3s develop
develop
August 9, 2024 19:50 3s
Refactor: remove useless values in Hsolverpw (#4875) Container #170: Commit 15e4c39 pushed by mohanchen
August 4, 2024 07:29 2s develop
develop
August 4, 2024 07:29 2s
Fix: reference to parameter instead of global variable in tool functi… Container #169: Commit 895c282 pushed by mohanchen
August 3, 2024 13:03 2s develop
develop
August 3, 2024 13:03 2s
discourage part of the use of c-style array in psi initializer (#4866) Container #168: Commit 53aa387 pushed by mohanchen
August 2, 2024 08:01 2s develop
develop
August 2, 2024 08:01 2s
Feature: enable multi-k calculation for CUDA version of module_gint (… Container #167: Commit a83a3b6 pushed by mohanchen
August 1, 2024 08:10 2s develop
develop
August 1, 2024 08:10 2s
Refactor: remove pelec frome hsolverpw solve func (#4846) Container #166: Commit 208a61c pushed by mohanchen
August 1, 2024 04:53 3s develop
develop
August 1, 2024 04:53 3s
Refactor: remove uncessary interfaces in module_io (#4835) Container #165: Commit 0b97dbd pushed by mohanchen
July 31, 2024 01:33 2s develop
develop
July 31, 2024 01:33 2s
Fix: error with DFTU force&stress with NSPIN=4 (#4825) Container #164: Commit d8cca53 pushed by mohanchen
July 29, 2024 12:00 2s develop
develop
July 29, 2024 12:00 2s
change ParaV to pv in LCAO ESolver Container #163: Commit 41db78a pushed by mohanchen
July 28, 2024 09:52 1s develop
develop
July 28, 2024 09:52 1s
update esolver, separate out some functions Container #162: Commit f6aec2a pushed by mohanchen
July 28, 2024 09:32 2s develop
develop
July 28, 2024 09:32 2s
Fix the incorrect calculation of partial charge for multi-k-points un… Container #161: Commit 3ef860a pushed by mohanchen
July 28, 2024 06:19 2s develop
develop
July 28, 2024 06:19 2s
update lcao_fun Container #160: Commit 58df118 pushed by mohanchen
July 28, 2024 05:37 2s develop
develop
July 28, 2024 05:37 2s
separate out functions from tddft Container #159: Commit 5661f6d pushed by mohanchen
July 28, 2024 04:22 2s develop
develop
July 28, 2024 04:22 2s
separate out functions from esolver_pw Container #158: Commit 0daa289 pushed by mohanchen
July 28, 2024 04:05 2s develop
develop
July 28, 2024 04:05 2s
Merge branch 'deepmodeling:develop' into develop Container #157: Commit aed2c8c pushed by mohanchen
July 28, 2024 01:50 3s develop
develop
July 28, 2024 01:50 3s
Merge branch 'deepmodeling:develop' into develop Container #156: Commit fdd8837 pushed by mohanchen
July 27, 2024 13:09 2s develop
develop
July 27, 2024 13:09 2s
Merge branch 'develop' into develop Container #155: Commit 1aa251a pushed by mohanchen
July 27, 2024 09:31 2s develop
develop
July 27, 2024 09:31 2s
add deepks_hmat.h Container #154: Commit c7b6d20 pushed by mohanchen
July 26, 2024 13:30 2s develop
develop
July 26, 2024 13:30 2s
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into… Container #153: Commit 1f6654e pushed by mohanchen
July 26, 2024 13:27 2s develop
develop
July 26, 2024 13:27 2s
Refactor: reorder INPUT parameters (#4797) Container #152: Commit 14c4f42 pushed by mohanchen
July 26, 2024 11:44 2s develop
develop
July 26, 2024 11:44 2s
Merge branch 'deepmodeling:develop' into develop Container #151: Commit b14229c pushed by mohanchen
July 26, 2024 01:22 2s develop
develop
July 26, 2024 01:22 2s
update Autotest1.sh Container #150: Commit a4cf4ce pushed by mohanchen
July 25, 2024 13:42 2s develop
develop
July 25, 2024 13:42 2s
Merge branch 'develop' into develop Container #149: Commit 1c142a4 pushed by mohanchen
July 25, 2024 13:28 3s develop
develop
July 25, 2024 13:28 3s
update deepks tests Container #148: Commit 72dbea3 pushed by mohanchen
July 25, 2024 13:26 3s develop
develop
July 25, 2024 13:26 3s