auto_kappa.structure package

Submodules

• auto_kappa.structure.comparison module
  • atoms_equal()
  • cells_equal()
  • generate_mapping_s2p()
  • get_structure_matcher()
  • match_structures()
• auto_kappa.structure.crystal module
  • get_atomic_distance_list()
  • get_automatic_kmesh()
  • get_commensurate_points()
  • get_formula()
  • get_primitive_structure_spglib()
  • get_spg_number()
  • get_standardized_structure()
  • get_standardized_structure_spglib()
  • get_supercell()
  • get_symmetry_dataset()
  • get_transformation_matrix_prim2scell()
  • inverse_transformation()
  • transform_prim2unit()
  • transform_unit2prim()
• auto_kappa.structure.supercell module
  • estimate_supercell_matrix()
• auto_kappa.structure.two module
  • adjust_vacuum_size()
  • check_2d_structure()
  • estimate_supercell_matrix_2d()
  • get_diagonal_length()
  • get_normal_index()
  • get_thickness()
  • is_perpendicular()
  • print_2d_system_notation()
  • print_length_info()
  • set_center()
  • set_vacuum_to_2d_structure()
  • suggest_fc2_cutoff()
  • switch_abc_axis()
• auto_kappa.structure.utils module
  • change_structure_format()
  • get_transformation_matrix()

Module contents