v3.6.2
Feature
- output times for lambda inner loop by @hongriTianqi in deepmodeling#3982
- output mag force in spin constraint calculation by @hongriTianqi in deepmodeling#4037
- add pw_diag_ndim parameter to adjust efficiency for users by @haozhihan in deepmodeling#3998
Fix
- fix issue 3985 about dcu compiling by @haozhihan in deepmodeling#3986
- bug in plot-tools by @1041176461 in deepmodeling#3990
- remove the dependence of EXX on RPA by @maki49 in deepmodeling#3969
- remove parameter_pool.cpp in CMakeLists.txt by @WHUweiqingzhou in deepmodeling#3983
- bug of out_band when kpar > 1 by @Qianruipku in deepmodeling#3963
- multiple memory leak and array access out of bound by @caic99 in deepmodeling#3997
- memory leak in tddft by @caic99 in deepmodeling#4012
- tddft memory leak by @caic99 in deepmodeling#4020
- some variables from pointers to vector by @AmengFromCDH in deepmodeling#3977
- pointers to vectors by @DylanWRh in deepmodeling#3980
- new-delete with stl::vector in H_Ewald_pw.cpp by @QztOc07 in deepmodeling#3996
- pointers to vectors in bessel_basis.cpp by @Fisheory in deepmodeling#3993
- output final mag instead of initial mag in STRU_ION_D by @WHUweiqingzhou in deepmodeling#4044
- add a check_rho() to avoid negative charge density by @WHUweiqingzhou in deepmodeling#4053
Test and Docs
- case test for noncolin force by @hongriTianqi in deepmodeling#4048
- update cuda tests by @caic99 in deepmodeling#4032
- add some docs by @WHUweiqingzhou in deepmodeling#4039
- update clang-tidy config by @caic99 in deepmodeling#4010
- format CMakeLists.txt using cmake_format by @caic99 in deepmodeling#4014
- update version by @pxlxingliang in deepmodeling#4061
- add docs about using MPI in docker. by @grysgreat in deepmodeling#4060
New Contributors
- @QztOc07 made their first contribution in deepmodeling#3996
Full Changelog: v3.6.1...v3.6.2