github materialsproject/pymatgen v2022.9.8

latest releases: v2024.9.17.1, v2024.9.17, v2024.9.10...
2 years ago
  • @janosh Add AirssProvider.as_dict
  • @gpetretto Outcar parsing optimization.
  • @ScottNotFound Adds res file io to handle results from airss searches
  • @janosh Fixes the AttributeError currently raised when passing disordered structures to methods like get_cn() and get_bonded_structure() of CrystalNN and other NearNeighbors subclasses.

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