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libcasm-mapping

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  • Installation
  • Usage
  • Reference
  • Bibliography
  • GitHub
  • PyPI

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  • libcasm.mapping
    • libcasm.mapping.info
      • has_same_prim
      • isotropic_strain_cost
      • pretty_json
      • symmetry_breaking_strain_cost
      • AtomMapping
        • displacement
        • from_dict
        • interpolated
        • permutation
        • to_dict
        • translation
      • AtomMappingResults
        • data
        • from_dict
        • size
        • to_dict
      • LatticeMapping
        • deformation_gradient
        • from_dict
        • interpolated
        • isometry
        • left_stretch
        • reorientation
        • right_stretch
        • to_dict
        • transformation_matrix_to_super
      • LatticeMappingResults
        • data
        • from_dict
        • size
        • to_dict
      • ScoredAtomMapping
        • atom_cost
        • displacement
        • from_dict
        • interpolated
        • permutation
        • to_dict
        • translation
      • ScoredLatticeMapping
        • deformation_gradient
        • from_dict
        • interpolated
        • isometry
        • lattice_cost
        • left_stretch
        • reorientation
        • right_stretch
        • to_dict
        • transformation_matrix_to_super
      • ScoredStructureMapping
        • atom_cost
        • atom_mapping
        • from_dict
        • interpolated
        • lattice_cost
        • lattice_mapping
        • prim
        • to_dict
        • total_cost
      • StructureMapping
        • atom_mapping
        • from_dict
        • interpolated
        • lattice_mapping
        • prim
        • to_dict
      • StructureMappingCost
        • atom_cost
        • from_dict
        • lattice_cost
        • to_dict
        • total_cost
      • StructureMappingResults
        • data
        • from_dict
        • size
        • to_dict
    • libcasm.mapping.mapsearch
      • make_atom_to_site_cost
      • make_atom_to_site_cost_future
      • make_superstructure_data
      • make_trial_translations
      • AtomMappingSearchData
        • cost_matrix
        • lattice_mapping_data
        • site_displacements
        • trial_translation_cart
      • IsotropicAtomCost
        • cost
      • LatticeMappingSearchData
        • N_supercell_site
        • atom_coordinate_cart_in_supercell
        • lattice_mapping
        • prim_data
        • structure_data
        • supercell_allowed_atom_types
        • supercell_lattice
        • supercell_site_coordinate_cart
        • transformation_matrix_to_super
      • MappingNode
        • atom_cost
        • atom_mapping
        • atom_mapping_data
        • forced_off
        • forced_on
        • lattice_cost
        • lattice_mapping_data
        • to_dict
        • total_cost
      • MappingSearch
        • back
        • front
        • make_and_insert_mapping_node
        • partition
        • pop_back
        • pop_front
        • results
        • size
        • k_best
        • max_cost
        • min_cost
      • PrimSearchData
        • N_prim_site
        • prim
        • prim_allowed_atom_types
        • prim_crystal_point_group
        • prim_factor_group
        • prim_lattice
        • prim_site_coordinate_cart
        • prim_sym_invariant_displacement_modes
      • QueueConstraints
        • enforce
      • StructureSearchData
        • N_atom
        • atom_coordinate_cart
        • atom_type
        • is_superstructure
        • lattice
        • prim_structure_data
        • structure_crystal_point_group
        • structure_factor_group
        • transformation_matrix_to_super
      • SymmetryBreakingAtomCost
        • cost
      • WeightedTotalCost
        • cost
    • libcasm.mapping.methods
      • make_mapped_lattice
      • make_mapped_structure
      • map_atoms
      • map_lattices
      • map_lattices_without_reorientation
      • map_structures
  • libcasm package
  • libcasm.mapping
  • libcasm.mapping.mapsearch
  • LatticeMappingSearchData
  • structure_data

structure_data#

LatticeMappingSearchData.structure_data(
self: LatticeMappingSearchData,
) → StructureSearchData#

Returns the search data for the structure being mapped.

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prim_data

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supercell_allowed_atom_types
On this page
  • LatticeMappingSearchData.structure_data()

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