github materialsproject/pymatgen v2023.6.28

latest releases: v2024.6.10, v2024.6.4, v2024.5.31...
12 months ago
  • Use lru_cache to speed up get_el_sp by 400x (@v1kko).
  • Related to lru_cache of get_el_sp, Species.properties is now deprecated in favor of setting Species(spin=5). The rationale is
    that spin is the only supported property for Species anyway. Species and DummySpecies is now mostly immutable, i.e., setting specie.spin = 5 have no effect. This is as intended since the first version of pymatgen.

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