pypi pymatgen 2024.8.8

latest releases: 2024.10.29, 2024.10.27, 2024.10.25...
3 months ago

๐ŸŽ‰ New Features

๐Ÿ› Bug Fixes

๐Ÿ›  Enhancements

  • Element/Species: order full_electron_structure by energy by @rkingsbury in #3944
  • Extend CubicSupercell transformation to also be able to look for orthorhombic cells by @JaGeo in #3938
  • Allow custom .pmgrc.yaml location via new PMG_CONFIG_FILE env var by @janosh in #3949
  • Fix MPRester tests and access phonon properties from the new API without having mp-api installed. by @AntObi in #3950
  • Adding Abinit magmoms from netCDF files to Structure.site_properties by @gbrunin in #3936
  • Parallel Joblib Process Entries by @CompRhys in #3933
  • Add OPTIMADE adapter by @ml-evs in #3876
  • Check Inputs to Trajectory. by @CompRhys in #3978

๐Ÿ“– Documentation

๐Ÿงน House-Keeping

๐Ÿšง CI

๐Ÿ’ก Refactoring

๐Ÿฅ Package Health

๐Ÿท๏ธ Type Hints

๐Ÿคทโ€โ™‚๏ธ Other Changes

New Contributors

Full Changelog: v2024.7.18...v2024.8.8

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