v3.4.3

What's Changed

Bug fix

• Fix init_wfc=file by @maki49 in #3140
• Fix Psi(T*) by @maki49 in #3056
• Fix: uspp stress bug caused by structure factor by @YuLiu98 in #3155
• Fix&Feature: fix segment fault and unstale of FFTW by @Qianruipku in #3157
• Fix: fix a bug in y direction charge density in nc calculation by @hongriTianqi in #3163
• Fix gpu compiler warnings by @denghuilu in #3172
• Fix: Abnormal energies in z direction mag for an isotropic magnetic system by @hongriTianqi in #3177
• Fix: fix dm output error by @hongriTianqi in #3182
• Fix: fix icpx compilation warnings within wf_atomic.cpp by @denghuilu in #3185
• Fix: fix GPU ut error by @denghuilu in #3186
• Fix : plot-tool dipole.py by @lyb9812 in #3134
• Fix a segment fault in distributing lcao wavefunction by @maki49 in #3191
• Fix: serach_radius is fixed to 0.01 Bohr in test_neighbor by @YuLiu98 in #3202
• Fix an error due to too-small symmetry_prec by @maki49 in #3200
• Fix: memory access out of bound by @caic99 in #3205

Feature & Performance

• Perform: optimize sKG function by @Qianruipku in #3145
• Feature: add initsto_ecut by @Qianruipku in #3149
• modify calling of PAW subroutines when running parallel by @wenfei-li in #3160
• Feature : add initialization of rhoij by @wenfei-li in #3164
• Feature : add mixing of compensation charge by @wenfei-li in #3178
• Feature : CG diagonalization & mixing of dij in PAW by @wenfei-li in #3192
• Feature: Enhance container tensor object by @denghuilu in #3171
• Feature: add wrapper mode for HContainer by @dyzheng in #3162
• Feature: add coulomb potential calculation by @Qianruipku in #3214
• Feature: support double type for CG by @maki49 in #3153
• modify the default of symmetry_prec to 1e-6 by @pxlxingliang in #3175
• modify symmetry_autoclose to true by @pxlxingliang in #3193

Refactor

• Refactor: PW_Basis_Big inherits from PW_Basis_Sup by @YuLiu98 in #3218

Build & Test & Doc

• Build: respect user defined CUDAARCHS by @njzjz in #3166
• Toolchain 2023.5 by @QuantumMisaka in #3196
• Test: upate input_test.cpp by @YuLiu98 in #3197
• Doc: add doc introductions for input/precision flag by @denghuilu in #3176
• Docs: correct scalapack-gvx into scalapack_gvx by @WHUweiqingzhou in #3190
• Build: enable address sanitizer for Intel oneAPI compiler by @caic99 in #3216
• Build: fix torch build on cuda-12 by @caic99 in #3203

Full Changelog: v3.4.2...v3.4.3