SMACT Utilities module

The utilities module provides some utility functions to support the core functionalities of SMACT

Submodules

• SMACT Utilities Composition Module
  • comp_maker()
  • composition_dict_maker()
  • formula_maker()
  • parse_formula()
• SMACT Utilities Crystal Space Module
  • Submodules
    • Crystal Space Materials Project Data Retrieval Module
    • Crystal Space SMACT Generation Module
      • convert_formula()
      • generate_composition_with_smact()
      • generate_composition_with_smact_custom()
    • Crystal Space Embedding Module
      • plot_reducers_embeddings()
      • update_layout()
• SMACT Utilities Oxidation Module
  • ICSD24OxStatesFilter
    • ICSD24OxStatesFilter.ox_states_df
    • ICSD24OxStatesFilter.filter()
    • ICSD24OxStatesFilter.get_species_list()
    • ICSD24OxStatesFilter.get_species_occurrences_df()
    • ICSD24OxStatesFilter.write()