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v3.4.2

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@dyzheng dyzheng released this 04 Nov 03:10
· 351 commits to develop since this release
57c903a

What's Changed

Feature:

  1. Feature: Find the subgroup for a subtle symmetry_prec by @maki49 in PR #3096
  2. Feature: output the hardware information in both the command line and the running_scf log by @denghuilu in PR #3127
  3. Feature: improved implementation of kerker preconditioner by @WHUweiqingzhou in PR #3133
  4. Implementation of deltaspin by @hongriTianqi in PR #3050

Bug Fix:

  1. Fix: bug when nspin = 2, fixed smearing by @Qianruipku in PR #3080
  2. Fix: symmetrize charge density in reciprocal space in any case by @maki49 in PR #3081
  3. Fix: fix Memory::print_all() result error (#2307) by @Critsium-xy in PR #3109

Test:

  1. Test: fix CMake file for test_deepks by @wenfei-li in PR #3100
  2. Fix : multi-k PAW by @wenfei-li in PR #3110
  3. Test: fix dynamic analysis command by @caic99 in PR #3120
  4. In integrate test add force threshold of 0.0001 and stress threshold 0.001 by @Zhuxuegang2022 in PR #3088
  5. Test: In integrate test add force threshold of 0.0001 and stress threshold 0.001 by @Zhuxuegang2022 in PR #3102

Documentation:

  1. Doc: Detailed user guide at a symmetry error by @maki49 in PR #3105
  2. Docs: make corresponding changes with PR#3133 by @WHUweiqingzhou in PR #3139

Refactor:

  1. Refactor: EXX-DM by @maki49 in PR #3068

New Contributors

Full Changelog: deepmodeling/abacus-develop@v3.4.1...v3.4.2