Release v3.4.3 · abacusmodeling/abacus-develop

What's Changed

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

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

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

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

Full Changelog: deepmodeling/abacus-develop@v3.4.2...v3.4.3