github materialsproject/pymatgen v2022.2.25

latest releases: v2024.6.10, v2024.6.4, v2024.5.31...
2 years ago
  • Add VASP WSWQ file parsing, PR #2439 from @jmmshn
  • Improve chemical potential diagram plotting, PR #2447 from @mattmcdermott
  • Update to Lobster calculation settings, PR #2434 from @JaGeo master
  • Allow non-integer G-vector cut-off values when parsing WAVECAR, PR #2410 from @arosen93
  • Fix for Structure.from_file when file is in YAML format from @janosh
  • Update of linter configuration, PR #2440 from @janosh
  • Update to ChemEnv citation, PR #2448 from @JaGeo
  • Type annotation fix, PR #2432 from @janosh
  • Documentation fix for Structure.apply_operation, PR #2433 from @janosh

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