·
10 commits
to develop
since this release
What's Changed
Fix
- Fix: remove gamma_only_local as para of write_rhog by @YuLiu98 in #6733
- [Fix] Remove useless code in CMakeLists by @Critsium-xy in #6732
- filter input non-ASCII char before process by @goodchong in #6739
- Fix: Increase threshold for 187_PW_MD_SDFT_ALL_GPU test by @Qianruipku in #6742
- Fix: Change int to long long in save_sparse to avoid overflow. by @ErjieWu in #6743
- Fix: EXX PW occupation number issue in nspin==2 && support for CUDA-Aware MPI marco by @Flying-dragon-boxing in #6750
- Fix CUDA GPU detection crash when running with device=cpu on machines without GPU by @Copilot in #6759
Feature
- [Feature]A new
-i/-I/--infoargument to show details of configuration and compilation by @ZhouXY-PKU in #6734 - Feature: support
init_chg dmto restart with DMR by @dyzheng in #6753 - Feature: tools for selective dynamics with ABACUS + Phonopy by @YuLiu98 in #6755
- Feature: Support RT-TDDFT EDM (energy-density matrix) calculation on GPU by @AsTonyshment in #6762
Refactor
- refactor the call of initialization of charge density by @mohanchen in #6744
- Update some names of deepks tests and refactor some ofdft codes by @mohanchen in #6754
Others
- Build(deps): Bump actions/upload-artifact from 4 to 5 by @dependabot[bot] in #6729
- Build(deps): Bump actions/checkout from 5 to 6 by @dependabot[bot] in #6728
- Bump version 3.9.0.20 by @Flying-dragon-boxing in #6764
New Contributors
- @Copilot made their first contribution in #6759
Full Changelog: v3.9.0.19...v3.9.0.20