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v2.0a4

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@bpuchala bpuchala released this 19 Aug 03:44
· 6 commits to main since this release

[2.0a4] - 2024-08-18

Added

  • Added range checks for CompositionConverter methods taking a parametric composition axis index
  • Added FormationEnergyCalculator
  • Added make_standard_axes, make_normalized_origin_and_end_members
  • Added pretty_json, print_axes_summary, and print_axes_table
  • Added methods to CompositionCalculator: allowed_occs, vacancy_names, from_dict, to_dict, repr
  • Added CompositionConverter.repr
  • Added include_va option to CompositionConverter.param_chem_pot_formula to allow printing formulas with or without "chem_pot(Va)"

Fixed

  • Fixed CompositionConverter.origin_formula, which was calling the wrong method
  • Removed extra space in CompositionConverter.param_chem_pot_formula with leading negative term