| add_vacuum(Structure &new_surface_struc, double vacuum_thickness) const | CASM::Structure | |
| BasicStructure< Site >::add_vacuum(BasicStructure &new_surface_struc, double vacuum_thickness) const | CASM::BasicStructure< Site > | |
| add_vacuum_shift(Structure &new_surface_struc, double vacuum_thickness, Eigen::Vector3d shift, COORD_TYPE mode) const | CASM::Structure | |
| add_vacuum_shift(Structure &new_surface_struc, double vacuum_thickness, Coordinate shift) const | CASM::Structure | |
| BasicStructure< Site >::add_vacuum_shift(BasicStructure &new_surface_struc, double vacuum_thickness, Eigen::Vector3d shift, COORD_TYPE mode) const | CASM::BasicStructure< Site > | |
| BasicStructure< Site >::add_vacuum_shift(BasicStructure &new_surface_struc, double vacuum_thickness, Coordinate shift) const | CASM::BasicStructure< Site > | |
| assign_species(Array< std::string > &names, Array< double > &masses, Array< double > &magmoms, Array< double > &Us, Array< double > &Js) | CASM::Structure | |
| BasicStructure(const Lattice &init_lat) | CASM::BasicStructure< Site > | inline |
| BasicStructure() | CASM::BasicStructure< Site > | inline |
| BasicStructure(const fs::path &filepath) | CASM::BasicStructure< Site > | |
| BasicStructure(const BasicStructure &RHS) | CASM::BasicStructure< Site > | |
| basis | CASM::BasicStructure< Site > | |
| basis_perm_rep_ID | CASM::Structure | mutableprotected |
| basis_permutation_symrep() const | CASM::Structure | |
| basis_permutation_symrep_ID() const | CASM::Structure | |
| bedazzle(Array< SiteCluster > stamps, bool lat_override=0, bool im_override=0) const | CASM::Structure | |
| clump_atoms(double maxdist, double tol) | CASM::Structure | |
| copy_attributes_from(const Structure &RHS) | CASM::Structure | |
| BasicStructure< Site >::copy_attributes_from(const BasicStructure &RHS) | CASM::BasicStructure< Site > | |
| create_superstruc(const Lattice &scel_lat, double map_tol=TOL) const | CASM::Structure | |
| factor_group() const | CASM::Structure | |
| fg_converge(double large_tol) | CASM::Structure | |
| fg_converge(double small_tol, double large_tol, double increment) | CASM::Structure | |
| BasicStructure< Site >::fg_converge(SymGroup &factor_group, double small_tol, double large_tol, double increment) | CASM::BasicStructure< Site > | |
| fill_supercell(const Structure &prim, double map_tol=TOL) | CASM::Structure | |
| BasicStructure< Site >::fill_supercell(const BasicStructure &prim, double map_tol=TOL) | CASM::BasicStructure< Site > | |
| find(const CoordType2 &test_site, double tol=TOL) const | CASM::BasicStructure< Site > | |
| find(const CoordType2 &test_site, const Coordinate &shift, double tol) const | CASM::BasicStructure< Site > | |
| from_json(const jsonParser &json) | CASM::Structure | |
| generate_asym_bouquet(const SiteOrbitree &in_tree, SiteOrbitree &out_tree, Index num_sites, double tol) | CASM::Structure | |
| generate_basis_bouquet(const SiteOrbitree &in_tree, SiteOrbitree &out_tree, Index num_sites, double tol) | CASM::Structure | |
| generate_basis_permutation_representation(bool verbose=false) const | CASM::Structure | |
| BasicStructure< Site >::generate_basis_permutation_representation(const MasterSymGroup &factor_group, bool verbose) const | CASM::BasicStructure< Site > | |
| generate_factor_group(double map_tol=TOL) const | CASM::Structure | |
| BasicStructure< Site >::generate_factor_group(SymGroup &factor_group, double map_tol) const | CASM::BasicStructure< Site > | |
| generate_factor_group_slow(double map_tol=TOL) const | CASM::Structure | |
| BasicStructure< Site >::generate_factor_group_slow(SymGroup &factor_group, double map_tol) const | CASM::BasicStructure< Site > | |
| generate_flowertrees(const SiteOrbitree &in_tree, Array< SiteOrbitree > &out_trees, double tol=TOL) | CASM::Structure | |
| BasicStructure< Site >::generate_flowertrees(const SiteOrbitree &in_tree, Array< SiteOrbitree > &out_trees) | CASM::BasicStructure< Site > | |
| generate_flowertrees_safe(const SiteOrbitree &in_tree, Array< SiteOrbitree > &out_trees, double tol=TOL) | CASM::Structure | |
| BasicStructure< Site >::generate_flowertrees_safe(const SiteOrbitree &in_tree, Array< SiteOrbitree > &out_trees) | CASM::BasicStructure< Site > | |
| get_lattice() const | CASM::BasicStructure< Site > | inline |
| get_NN_table(const double &maxr, SiteOrbitree &bouquet, double tol) | CASM::Structure | |
| get_NN_table(const double &maxr, double tol) | CASM::Structure | |
| get_num_each_molecule() const | CASM::Structure | |
| get_num_each_specie() const | CASM::Structure | |
| get_reflection() const | CASM::Structure | |
| get_site(const UnitCellCoord &ucc) const | CASM::BasicStructure< Site > | |
| get_struc_molecule() const | CASM::Structure | |
| get_struc_molecule_name() const | CASM::Structure | |
| get_struc_specie() const | CASM::Structure | |
| get_unit_cell_coord(const CoordType2 &test_site, double tol=TOL) const | CASM::BasicStructure< Site > | |
| intpol(Structure end_struc, int Nofimag, PERIODICITY_TYPE mode, Array< Structure > &images) | CASM::Structure | |
| is_primitive(double prim_tol=TOL) const | CASM::BasicStructure< Site > | |
| is_primitive(BasicStructure &new_prim, double prim_tol=TOL) const | CASM::BasicStructure< Site > | |
| lattice() const | CASM::BasicStructure< Site > | inline |
| m_factor_group | CASM::Structure | mutableprotected |
| m_lattice | CASM::BasicStructure< Site > | protected |
| main_print(std::ostream &stream, COORD_TYPE mode, bool version5, int option) const | CASM::Structure | private |
| map_superstruc_to_prim(Structure &prim) | CASM::Structure | |
| BasicStructure< Site >::map_superstruc_to_prim(BasicStructure &prim, const SymGroup &point_group) | CASM::BasicStructure< Site > | |
| max_possible_vacancies() const | CASM::BasicStructure< Site > | |
| merge_sites(double maxdist) | CASM::BasicStructure< Site > | |
| operator+=(const Coordinate &shift) | CASM::Structure | |
| operator-=(const Coordinate &shift) | CASM::Structure | |
| operator=(const Structure &RHS) | CASM::Structure | |
| BasicStructure< Site >::operator=(const BasicStructure &RHS) | CASM::BasicStructure< Site > | virtual |
| point_group() const | CASM::Structure | |
| print_cif(std::ostream &stream) const | CASM::BasicStructure< Site > | |
| print_site_symmetry(std::ostream &stream, COORD_TYPE mode, int shorttag, double tol) | CASM::Structure | |
| print_xyz(std::ostream &stream) const | CASM::BasicStructure< Site > | |
| read(std::istream &stream) | CASM::BasicStructure< Site > | virtual |
| read_species() | CASM::Structure | |
| reset() | CASM::Structure | virtual |
| SD_flag | CASM::Structure | protected |
| set_basis(Array< Site > basis_in) | CASM::BasicStructure< Site > | |
| set_lattice(const Lattice &lattice, COORD_TYPE mode) | CASM::Structure | |
| set_occs(Array< int > occ_index) | CASM::Structure | |
| set_site_internals() | CASM::BasicStructure< Site > | |
| sort_basis() | CASM::Structure | |
| stack_on(const Structure &understruc, bool override=0) const | CASM::Structure | |
| stamp_with(SiteCluster stamp, bool lat_override=0, bool im_override=0) const | CASM::Structure | |
| Structure() | CASM::Structure | inline |
| Structure(const Lattice &init_lat) | CASM::Structure | inlineexplicit |
| Structure(const BasicStructure< Site > &base) | CASM::Structure | inlineexplicit |
| Structure(const fs::path &filepath) | CASM::Structure | explicit |
| Structure(const Structure &RHS) | CASM::Structure | |
| symmetrize(const SymGroup &relaxed_factors) | CASM::Structure | |
| symmetrize(const double &tolerace) | CASM::Structure | |
| title | CASM::BasicStructure< Site > | |
| to_json(jsonParser &json) const | CASM::Structure | |
| update() | CASM::BasicStructure< Site > | |
| within() | CASM::BasicStructure< Site > | |
| ~BasicStructure() | CASM::BasicStructure< Site > | inlinevirtual |