github materialsproject/pymatgen v2022.0.12

latest releases: v2024.11.13, v2024.10.29, v2024.10.27...
3 years ago
  • @chc273 Major bugfix for cython handling of fractional coordinates wrapping.
  • @mattmcdermott Bug fix for entry_ID phase diagram plotting bug described in this Issue: #2219
  • @FCMeng Fix for PWSCF to distinguish same element with different oxidation state, which might have different pseudopotentials.
  • @gmatteo fix minor bug when reading Structure from a netcdf4 file with hdf5 groups

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