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