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v2023.10.3

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@janosh janosh released this 03 Oct 23:16
· 785 commits to master since this release

What's Changed

🐛 Bug Fixes

  • Revert openbabel.OBAlign() in molecule_matcher.py to use positional args for includeH, symmetry by @janosh in #3353
  • Fix MPMD set bug by @MichaelWolloch in #3355
  • Fix TestMPResterNewBasic + AseAtomsAdaptor test errors and TransformedStructure.from_snl overwriting hist variable by @janosh in #3362
  • Fix TypeError: can only join an iterable with AECCAR in VolumetricData.write_file by @chiang-yuan in #3343

🛠 Enhancements

🧹 House-Keeping

🏥 Package Health

New Contributors

Full Changelog: v2023.9.25...v2023.10.3