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AI2Pot v1.1.1

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@lhycms lhycms released this 10 Sep 06:22
· 88 commits to main since this release
64cf83c

Summary

  • Unified AI2Pot and LAMMPS neighbor-list indexing in PR #8
  • Added GitHub Actions workflow for automated wheel builds in PR #9
  • Update default force and virial weight settings during training in PR #12
  • Improved code consistency and release infrastructure