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libcasm-configuration

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  • libcasm.clusterography
    • equivalents_info_from_dict
    • make_cluster_group
    • make_custom_cluster_specs
    • make_integral_site_coordinate_symgroup_rep
    • make_local_cluster_group
    • make_local_cluster_specs
    • make_local_equivalence_map
    • make_local_equivalence_map_indices
    • make_local_orbit
    • make_periodic_cluster_specs
    • make_periodic_equivalence_map
    • make_periodic_equivalence_map_indices
    • make_periodic_orbit
    • Cluster
      • append
      • copy
      • distances
      • from_dict
      • from_list
      • is_sorted
      • phenomenal_distances
      • site
      • sites
      • size
      • sort
      • sorted
      • to_dict
      • to_index_list
      • to_index_set
      • to_list
    • ClusterOrbitGenerator
      • from_list
      • to_dict
      • include_subclusters
      • prototype
    • ClusterSpecs
      • custom_generators
      • cutoff_radius
      • from_dict
      • generating_group
      • include_phenomenal_sites
      • make_orbits
      • max_length
      • phenomenal
      • site_filter_method
      • to_dict
      • xtal_prim
  • libcasm.configuration
    • apply
    • asymmetric_unit_indices
    • config_space_analysis
    • copy_apply
    • copy_configuration
    • copy_transformed_configuration
    • dof_space_analysis
    • equivalent_order_parameters_index
    • find_mapping_operation
    • from_canonical_configuration
    • is_canonical_configuration
    • is_canonical_order_parameters
    • is_canonical_supercell
    • is_primitive_configuration
    • make_all_super_configurations
    • make_all_super_configurations_by_subsets
    • make_canonical_configuration
    • make_canonical_order_parameters
    • make_canonical_supercell
    • make_consistent_asymmetric_unit_indices
    • make_distinct_super_configurations
    • make_dof_space_rep
    • make_equivalent_configurations
    • make_equivalent_supercells
    • make_global_dof_matrix_rep
    • make_invariant_subgroup
    • make_local_dof_matrix_rep
    • make_primitive_configuration
    • make_symgroup
    • make_symgroup_multiplication_table
    • to_canonical_configuration
    • ConfigSpaceAnalysisResults
      • to_dict
      • eigenvalues
      • equivalent_configurations
      • equivalent_dof_values
      • projector
      • standard_dof_space
      • symmetry_adapted_dof_space
    • Configuration
      • copy
      • dof_values_vector
      • dof_values_vector_contribution
      • from_dict
      • from_structure
      • global_dof_values
      • global_standard_dof_values
      • local_dof_site_value
      • local_dof_values
      • local_standard_dof_site_value
      • local_standard_dof_values
      • make_dof_space
      • occ
      • order_parameters
      • order_parameters_contribution
      • set_global_dof_values
      • set_global_standard_dof_values
      • set_local_dof_site_value
      • set_local_dof_values
      • set_local_standard_dof_site_value
      • set_local_standard_dof_values
      • set_occ
      • set_occupation
      • set_order_parameters
      • set_standard_dof_values
      • standard_dof_values
      • to_dict
      • to_structure
      • dof_values
      • occupation
      • supercell
    • ConfigurationRecord
      • copy
      • configuration
      • configuration_id
      • configuration_name
      • supercell_name
    • ConfigurationSet
      • add
      • add_configuration
      • add_record
      • clear
      • discard
      • discard_by_name
      • discard_configuration
      • empty
      • from_dict
      • get
      • get_by_name
      • get_configuration
      • remove
      • remove_by_name
      • remove_configuration
      • to_dict
    • ConfigurationWithProperties
      • copy
      • from_dict
      • from_structure
      • global_property_values
      • local_property_values
      • scalar_global_property_value
      • to_dict
      • to_structure
      • configuration
      • global_properties
      • local_properties
    • DoFSpaceAnalysisResults
      • to_dict
      • symmetry_adapted_dof_space
      • symmetry_report
    • Prim
      • from_dict
      • global_dof_basis
      • global_dof_basis_inv
      • global_dof_matrix_rep
      • local_dof_basis
      • local_dof_basis_inv
      • local_dof_matrix_rep
      • to_dict
      • atom_position_symgroup_rep
      • continuous_magspin_flavor
      • continuous_magspin_key
      • crystal_point_group
      • discrete_atomic_magspin_flavor
      • discrete_atomic_magspin_key
      • factor_group
      • has_anisotropic_occupants
      • has_occupation_dofs
      • integral_site_coordinate_symgroup_rep
      • is_atomic
      • lattice_point_group
      • occ_symgroup_rep
      • xtal_prim
    • Supercell
      • coordinate_cart
      • coordinate_frac
      • from_dict
      • integral_site_coordinate
      • linear_site_index
      • linear_unitcell_index
      • linear_unitcell_indices
      • local_symgroup_rep
      • n_occupants
      • occ_dof
      • sub_supercell_index_converter
      • sublattice_indices
      • symgroup
      • symgroup_rep
      • to_dict
      • unitcell_indices
      • within
      • factor_group
      • factor_group_permutations
      • n_sites
      • n_unitcells
      • prim
      • prim_lattice
      • site_index_converter
      • superlattice
      • transformation_matrix_to_super
      • translation_permutations
      • unitcell_index_converter
      • xtal_prim
    • SupercellRecord
      • copy
      • canonical_supercell_name
      • is_canonical
      • supercell
      • supercell_name
    • SupercellSet
      • add
      • add_by_canonical_name
      • add_by_transformation_matrix_to_super
      • add_record
      • add_supercell
      • clear
      • discard
      • discard_by_canonical_name
      • discard_by_transformation_matrix_to_super
      • discard_record
      • discard_supercell
      • empty
      • from_dict
      • prim
      • remove
      • remove_by_canonical_name
      • remove_by_transformation_matrix_to_super
      • remove_record
      • remove_supercell
      • to_dict
    • SupercellSymOp
      • begin
      • combined_permute
      • copy
      • end
      • inverse
      • next
      • permute_index
      • prim_factor_group_index
      • supercell
      • supercell_factor_group_index
      • to_symop
      • translation_begin
      • translation_end
      • translation_frac
      • translation_index
    • libcasm.configuration.io
      • configuration_list_from_data
      • configuration_list_to_data
      • supercell_list_from_data
      • supercell_list_to_data
      • symgroup_to_dict_with_group_classification
      • libcasm.configuration.io.spglib
        • as_cell
        • as_lattice
        • as_magmoms
        • as_numbers
        • as_positions
        • as_rotations
        • as_time_reversals
        • as_translations
        • asdict
        • get_magnetic_spacegroup_type_from_symmetry
        • get_magnetic_symmetry_dataset
        • get_spacegroup_type_from_symmetry
        • get_symmetry_dataset
      • libcasm.configuration.io.tools
        • libcasm.configuration.io.tools.CasmObjectWithLattice
        • libcasm.configuration.io.tools.CasmObjectWithPositions
        • as_structure_if_config
        • get_coordinate_cart
        • get_coordinate_frac
        • get_lattice
        • get_magmoms
        • get_unique_numbers
  • libcasm.enumerate
    • find_optimal_point_defect_supercells
    • get_occevent_coordinate
    • has_required_sites
    • irreducible_wedge_points
    • make_all_distinct_local_perturbations
    • make_all_distinct_periodic_perturbations
    • make_distinct_cluster_sites
    • make_distinct_local_cluster_sites
    • make_distinct_local_configurations
    • make_distinct_local_perturbations
    • make_distinct_super_configurations
    • make_first_n_orbits
    • make_first_n_orbits_cluster_specs
    • make_occevent_simple_structures
    • make_phenomenal_occevent
    • make_required_sites
    • make_supercells_for_point_defects
    • meshgrid_points
    • plot_point_defect_supercell_scores
    • print_point_defect_supercell_info
    • ConfigEnumAllOccupations
      • by_cluster
      • by_cluster_list
      • by_integral_site_coordinates
      • by_linear_site_indices
      • by_sublattice
      • by_supercell
      • by_supercell_list
      • by_supercell_with_continuous_dof
      • background
      • enum_index
      • prim
      • sites
      • supercell_set
    • ConfigEnumInfo
      • check
      • finish
      • config_enum
      • configuration_set
      • curr_enum_index
      • n_config_before
      • n_config_total
      • n_config_excluded
    • ConfigEnumLocalOccupations
      • by_cluster
      • by_cluster_specs
      • event_info
      • supercell_set
      • reference
      • verbose
    • ConfigEnumLocalOccupationsReference
      • to_dict
      • event_info
      • event_supercell_info
      • initial
      • super_background
      • event
      • event_trans_frac
      • event_pos
      • event_phenomenal_clusters
      • event_sites
      • sublattice_indices
      • asymmetric_unit_indices
      • occupation_indices
      • prim_local_orbits
      • event_local_orbits
    • ConfigEnumLocalOccupationsResult
      • to_dict
      • reference
      • local_configuration
      • canonical_local_configuration
      • i_initial
      • pos
      • i_local_orbit
      • sites
      • sublattices
      • asymmetric_units
      • initial_occupation
      • final_occupation
    • ConfigEnumMeshGrid
      • by_grid_coordinates
      • by_irreducible_wedge
      • by_range
      • background
      • dof_space
      • enum_index
      • order_parameters
      • prim
      • subwedge_index
      • supercell_set
    • ScelEnum
      • by_volume
      • prim
      • supercell_set
    • SuperConfigEnum
      • by_supercell
      • by_supercell_list
      • prim
      • supercell_set
  • libcasm.group
    • GenericGroup
      • class_of
      • conjugacy_classes
      • from_dict
      • inv
      • make_subgroup
      • mult
      • size
      • to_dict
      • head_group
      • head_group_index
      • inverse_index
      • is_subgroup
      • multiplication_table
    • Group
      • class_of
      • conjugacy_classes
      • from_dict
      • inv
      • make_subgroup
      • mult
      • size
      • to_dict
      • head_group
      • head_group_index
      • inverse_index
      • is_subgroup
      • multiplication_table
      • elements
    • Subset
      • all_subgroup_generators
      • all_subgroup_orbits
      • all_subgroups
      • close
      • cyclic_generators
      • cyclic_subgroup_orbits
      • cyclic_subgroups
      • extend
      • extend_and_close
      • from_generators
      • is_proper_subset_of
      • is_subset_of
      • left_cosets
      • maximal_cyclic_generators
      • maximal_cyclic_subgroup_orbits
      • maximal_cyclic_subgroups
      • minimal_generators
      • right_cosets
      • group
      • indices
      • is_abelian_group
      • is_group
      • is_normal
      • is_simple_group
  • libcasm.irreps
    • make_invariant_subspace
    • IrrepDecomposition
      • make_symmetry_report
      • complete_decomposition
      • head_group
      • incomplete_subspace
      • irreps
      • matrix_rep
      • subspace
      • symmetry_adapted_subspace
    • IrrepInfo
      • from_dict
      • to_dict
      • characters
      • directions
      • frobenius_schur_indicator
      • index
      • irrep_dim
      • irrep_type
      • is_complex_irrep
      • is_gerade
      • is_identity
      • is_pseudo_real
      • is_real
      • trans_mat
      • vector_dim
    • IrrepWedge
      • axes
      • irrep_info
      • mult
    • MatrixRepGroup
      • class_of
      • conjugacy_classes
      • from_dict
      • inv
      • make_subgroup
      • mult
      • size
      • to_dict
      • elements
      • head_group
      • head_group_index
      • inverse_index
      • is_subgroup
      • multiplication_table
    • SubWedge
      • irrep_wedges
      • trans_mat
    • VectorSpaceSymReport
      • to_dict
      • axis_glossary
      • irreducible_wedge
      • irrep_axes_indices
      • irrep_names
      • irrep_wedge_axes
      • irreps
      • matrix_rep
      • symmetry_adapted_subspace
  • libcasm.local_configuration
    • make_canonical_local_configuration
    • make_equivalents_generators
    • make_occevent_equivalents_generators
    • make_occevent_suborbits
    • LocalConfiguration
      • copy
      • from_dict
      • from_event
      • to_dict
      • event
      • configuration
      • pos
      • event_info
    • LocalConfigurationList
      • append
      • as_local_configuration
      • clear
      • copy
      • from_dict
      • index
      • sort
      • to_dict
      • event_info
    • OccEventPrimSymInfo
      • coordinate
      • copy
      • from_data
      • make_local_neighborhoods_from_cluster_specs
      • make_local_orbits
      • make_local_orbits_from_cluster_specs
      • to_data
      • prim
      • system
      • prototype_event
      • phenomenal_clusters
      • equivalent_generating_ops
      • equivalent_generating_op_indices
      • equivalent_generating_site_reps
      • occevent_symgroup_rep
      • prototype_invariant_group
      • translations
      • events
      • invariant_groups
    • OccEventSupercellSymInfo
      • canonical_pos
      • coordinate
      • copy_apply_supercell_symop
      • event
      • event_group_rep
      • make_canonical_local_configuration
      • standardized_and_within
      • suborbit_prototype
      • suborbit_prototype_equivalent_index
      • supercell_rep
      • event_prim_info
      • supercell
      • suborbits
      • n_suborbits
      • equivalent_index_to_suborbit_index
      • suborbit_index_to_equivalent_index
    • OccEventSymInfo
      • copy
      • from_data
      • get_event_supercell_info
      • init
      • to_data
      • event_prim_info
  • libcasm.occ_events
    • get_occevent_coordinate
    • load_occevent
    • make_canonical_occevent
    • make_canonical_prim_periodic_occevents
    • make_occevent_cluster_specs
    • make_occevent_group
    • make_occevent_symgroup_rep
    • make_occevent_symgroup_rep_from_existing
    • make_prim_periodic_orbit
    • save_occevent
    • OccEvent
      • cluster
      • copy
      • copy_reverse
      • copy_sort
      • final_occupation
      • from_dict
      • initial_occupation
      • reverse
      • size
      • sort
      • standardize
      • to_dict
      • trajectories
    • OccEventPrinter
    • OccEventRep
      • copy
    • OccPosition
      • atom_component
      • atom_position_index
      • copy
      • from_dict
      • integral_site_coordinate
      • is_atom
      • is_in_reservoir
      • molecule
      • occupant
      • occupant_index
      • to_dict
    • OccSystem
      • atom_name_list
      • chemical_name_list
      • from_dict
      • get_atom_name
      • get_cartesian_coordinate
      • get_chemical_index
      • get_chemical_name
      • get_occupant
      • get_orientation_index
      • get_orientation_name
      • is_indivisible
      • is_vacancy
      • is_vacancy_list
      • orientation_name_list
      • to_dict
      • xtal_prim
  • libcasm.sym_info
    • make_factor_group
    • make_point_group
    • SymGroup
      • brief_cart
      • brief_frac
      • class_of
      • conjugacy_classes
      • from_dict
      • from_elements
      • inv
      • make_subgroup
      • mult
      • to_dict
      • elements
      • head_group
      • head_group_index
      • inverse_index
      • is_subgroup
      • multiplication_table
      • size
  • Reference (libcasm-configuration)
  • libcasm.configuration
  • Supercell
  • unitcell_index_converter

unitcell_index_converter#

property Supercell.unitcell_index_converter#

A const reference to the UnitCellIndexConverter for the supercell.

Type:

UnitCellIndexConverter

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translation_permutations

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xtal_prim
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  • Supercell.unitcell_index_converter

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