v3.4.2
What's Changed
Feature:
- Feature: Find the subgroup for a subtle
symmetry_prec
by @maki49 in PR #3096 - Feature: output the hardware information in both the command line and the running_scf log by @denghuilu in PR #3127
- Feature: improved implementation of kerker preconditioner by @WHUweiqingzhou in PR #3133
- Implementation of deltaspin by @hongriTianqi in PR #3050
Bug Fix:
- Fix: bug when nspin = 2, fixed smearing by @Qianruipku in PR #3080
- Fix: symmetrize charge density in reciprocal space in any case by @maki49 in PR #3081
- Fix: fix Memory::print_all() result error (#2307) by @Critsium-xy in PR #3109
Test:
- Test: fix CMake file for test_deepks by @wenfei-li in PR #3100
- Fix : multi-k PAW by @wenfei-li in PR #3110
- Test: fix dynamic analysis command by @caic99 in PR #3120
- In integrate test add force threshold of 0.0001 and stress threshold 0.001 by @Zhuxuegang2022 in PR #3088
- Test: In integrate test add force threshold of 0.0001 and stress threshold 0.001 by @Zhuxuegang2022 in PR #3102
Documentation:
- Doc: Detailed user guide at a symmetry error by @maki49 in PR #3105
- Docs: make corresponding changes with PR#3133 by @WHUweiqingzhou in PR #3139
Refactor:
New Contributors
- @Critsium-xy made their first contribution in deepmodeling#3109
- @AsTonyshment made their first contribution in deepmodeling#3065
Full Changelog: deepmodeling/abacus-develop@v3.4.1...v3.4.2