cifkit

EXAMPLES

  • CIF
  • CifEnsemble

REFERENCE

  • Package API
    • Subpackages
      • cifkit.coordination package
      • cifkit.data package
        • Subpackages
        • Submodules
        • Module contents
      • cifkit.figures package
      • cifkit.models package
      • cifkit.occupancy package
      • cifkit.preprocessors package
      • cifkit.utils package
    • Submodules
    • Module contents
  • Release Notes
  • License
cifkit
  • cifkit package
  • cifkit.data package
  • Edit on GitHub

cifkit.data package

Subpackages

  • cifkit.data.cifs package
    • Module contents

Submodules

  • cifkit.data.example module
    • Example
      • Example.GdSb_file_path
      • Example.demo_cif_folder_path
      • Example.get_path()
  • cifkit.data.mendeleeve_handler module
    • get_mendeleev_nums_from_pair_tuple()
  • cifkit.data.radius_handler module
    • compute_radius_sum()
    • get_CIF_pauling_radius()
    • get_radius_values_per_element()
  • cifkit.data.radius_optimization module
    • get_refined_CIF_radius()

Module contents

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