| add_atom(const std::string label, r3::vector< double > position, r3::vector< double > vector_field) | sirius::Unit_cell | |
| add_atom(const std::string label, r3::vector< double > position) | sirius::Unit_cell | inline |
| add_atom_type(const std::string label__, const std::string file_name__="") | sirius::Unit_cell | |
| atom(int id__) const | sirius::Unit_cell | inline |
| atom(int id__) | sirius::Unit_cell | inline |
| atom_coord(int iat__) const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| atom_coord_ | sirius::Unit_cell | private |
| atom_id_by_position(r3::vector< double > position__) | sirius::Unit_cell | |
| atom_symmetry_class(int id__) const | sirius::Unit_cell | inline |
| atom_symmetry_class(int id__) | sirius::Unit_cell | inline |
| atom_symmetry_classes_ | sirius::Unit_cell | private |
| atom_type(int id__) | sirius::Unit_cell | inline |
| atom_type(int id__) const | sirius::Unit_cell | inline |
| atom_type(std::string const label__) const | sirius::Unit_cell | inline |
| atom_type(std::string const label__) | sirius::Unit_cell | inline |
| atom_type_id_map_ | sirius::Unit_cell | private |
| atom_types_ | sirius::Unit_cell | private |
| atoms_ | sirius::Unit_cell | private |
| augment() const | sirius::Unit_cell | inline |
| check_mt_overlap(int &ia__, int &ja__) | sirius::Unit_cell | inlineprivate |
| chemical_formula() | sirius::Unit_cell | |
| comm() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| comm_ (defined in sirius::Unit_cell) | sirius::Unit_cell | private |
| equivalent_atoms_ | sirius::Unit_cell | private |
| find_mt_radii(int auto_rmt__, bool inflate__) | sirius::Unit_cell | |
| find_nearest_neighbours(double cluster_radius) | sirius::Unit_cell | |
| generate_radial_functions(std::ostream &out__) (defined in sirius::Unit_cell) | sirius::Unit_cell | |
| generate_radial_integrals() (defined in sirius::Unit_cell) | sirius::Unit_cell | |
| get_cartesian_coordinates(r3::vector< T > a__) const | sirius::Unit_cell | inline |
| get_fractional_coordinates(r3::vector< double > a__) const | sirius::Unit_cell | inline |
| get_symmetry() | sirius::Unit_cell | |
| import(config_t::unit_cell_t const &inp__) | sirius::Unit_cell | |
| init_paw() | sirius::Unit_cell | |
| initialize() | sirius::Unit_cell | |
| inverse_lattice_vectors() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| inverse_lattice_vectors_ | sirius::Unit_cell | private |
| is_point_in_mt(r3::vector< double > vc, int &ja, int &jr, double &dr, double tp[2]) const (defined in sirius::Unit_cell) | sirius::Unit_cell | |
| lattice_vector(int idx__) const | sirius::Unit_cell | inline |
| lattice_vectors() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| lattice_vectors_ | sirius::Unit_cell | private |
| lmax() const | sirius::Unit_cell | inline |
| lmax_apw() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| max_mt_aw_basis_size() const | sirius::Unit_cell | inline |
| max_mt_basis_size() const | sirius::Unit_cell | inline |
| max_mt_lo_basis_size() const | sirius::Unit_cell | inline |
| max_mt_radial_basis_size() const | sirius::Unit_cell | inline |
| max_mt_radius() const | sirius::Unit_cell | inline |
| max_num_atoms() const | sirius::Unit_cell | inline |
| max_num_mt_points() const | sirius::Unit_cell | inline |
| min_bond_length() const | sirius::Unit_cell | |
| min_mt_radius() const | sirius::Unit_cell | inline |
| mt_aw_basis_size() const | sirius::Unit_cell | inline |
| mt_lo_basis_size() const | sirius::Unit_cell | inline |
| nearest_neighbour(int i, int ia) const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| nearest_neighbours_ | sirius::Unit_cell | private |
| next_atom_type_id(std::string label__) (defined in sirius::Unit_cell) | sirius::Unit_cell | private |
| num_atom_symmetry_classes() const | sirius::Unit_cell | inline |
| num_atom_types() const | sirius::Unit_cell | inline |
| num_atoms() const | sirius::Unit_cell | inline |
| num_core_electrons() const | sirius::Unit_cell | inline |
| num_electrons() const | sirius::Unit_cell | inline |
| num_hubbard_wf() const | sirius::Unit_cell | inline |
| num_hubbard_wf_ (defined in sirius::Unit_cell) | sirius::Unit_cell | private |
| num_nearest_neighbours(int ia) const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| num_paw_atoms() const | sirius::Unit_cell | inline |
| num_ps_atomic_wf() const | sirius::Unit_cell | |
| num_valence_electrons() const | sirius::Unit_cell | inline |
| omega() const | sirius::Unit_cell | inline |
| omega_ | sirius::Unit_cell | private |
| parameters() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| parameters_ | sirius::Unit_cell | private |
| paw_atom_index(paw_atom_index_t::global ipaw__) const | sirius::Unit_cell | inline |
| paw_atom_index_ | sirius::Unit_cell | private |
| paw_atoms() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| print_geometry_info(std::ostream &out__, int verbosity__) const (defined in sirius::Unit_cell) | sirius::Unit_cell | |
| print_info(std::ostream &out__, int verbosity__) const | sirius::Unit_cell | |
| print_nearest_neighbours(std::ostream &out__) const (defined in sirius::Unit_cell) | sirius::Unit_cell | |
| reciprocal_lattice_vectors() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| reciprocal_lattice_vectors_ | sirius::Unit_cell | private |
| serialize(bool cart_pos__=false) const | sirius::Unit_cell | |
| set_equivalent_atoms(int const *equivalent_atoms__) (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| set_lattice_vectors(r3::matrix< double > lattice_vectors__) | sirius::Unit_cell | |
| set_lattice_vectors(r3::vector< double > a0__, r3::vector< double > a1__, r3::vector< double > a2__) | sirius::Unit_cell | |
| spl_num_atom_symmetry_classes() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| spl_num_atom_symmetry_classes_ | sirius::Unit_cell | private |
| spl_num_atoms() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| spl_num_atoms_ | sirius::Unit_cell | private |
| spl_num_paw_atoms() const | sirius::Unit_cell | inline |
| spl_num_paw_atoms(paw_atom_index_t::local idx__) const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| spl_num_paw_atoms_ | sirius::Unit_cell | private |
| symmetry() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| symmetry_ (defined in sirius::Unit_cell) | sirius::Unit_cell | private |
| total_nuclear_charge() const | sirius::Unit_cell | inline |
| Unit_cell(Simulation_parameters const ¶meters__, mpi::Communicator const &comm__) (defined in sirius::Unit_cell) | sirius::Unit_cell | |
| unit_cell_parameters() (defined in sirius::Unit_cell) | sirius::Unit_cell | |
| update() | sirius::Unit_cell | |
| volume_it() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| volume_it_ | sirius::Unit_cell | private |
| volume_mt() const (defined in sirius::Unit_cell) | sirius::Unit_cell | inline |
| volume_mt_ | sirius::Unit_cell | private |
| write_cif() | sirius::Unit_cell | |
| ~Unit_cell() (defined in sirius::Unit_cell) | sirius::Unit_cell | |
