madness::charactertable Struct Reference

#include <pointgroupsymmetry.h>

Collaboration diagram for madness::charactertable:

Public Types
typedef std::vector< int >	characterlineT

Public Attributes
std::map< std::string, characterlineT >	irreps_
bool	is_abelian =true
	currently always true
std::vector< std::string >	mullikan_
	Mullikan symbols of the irreps.
std::vector< pg_operator >	operators_
	symmetry operators
int	order_
	order of the point group
std::string	schoenflies_
	Schoenflies symbol of the point group.

Member Typedef Documentation

characterlineT

typedef std::vector<int> madness::charactertable::characterlineT

Member Data Documentation

irreps_

std::map<std::string,characterlineT> madness::charactertable::irreps_

Referenced by madness::projector_irrep::apply_symmetry_operators(), main(), madness::projector_irrep::make_c1_table(), madness::projector_irrep::make_c2_table(), madness::projector_irrep::make_c2h_table(), madness::projector_irrep::make_c2v_table(), madness::projector_irrep::make_ci_table(), madness::projector_irrep::make_cs_table(), madness::projector_irrep::make_d2_table(), madness::projector_irrep::make_d2h_table(), madness::projector_irrep::print_character_table(), madness::projector_irrep::project_on_irreps(), madness::projector_irrep::reduce(), and test_projector().

is_abelian

bool madness::charactertable::is_abelian =true

currently always true

Referenced by madness::TDHF::symmetrize().

mullikan_

std::vector<std::string> madness::charactertable::mullikan_

Mullikan symbols of the irreps.

Referenced by madness::projector_irrep::apply_symmetry_operators(), madness::TDHF::check_consistency(), madness::projector_irrep::get_all_irreps(), madness::projector_irrep::get_canonical_to_irrep_map(), madness::projector_irrep::make_c1_table(), madness::projector_irrep::make_c2_table(), madness::projector_irrep::make_c2h_table(), madness::projector_irrep::make_c2v_table(), madness::projector_irrep::make_ci_table(), madness::projector_irrep::make_cs_table(), madness::projector_irrep::make_d2_table(), madness::projector_irrep::make_d2h_table(), madness::projector_irrep::print_character_table(), and madness::projector_irrep::set_irrep().

operators_

std::vector<pg_operator> madness::charactertable::operators_

symmetry operators

Referenced by madness::projector_irrep::apply_symmetry_operators(), main(), madness::projector_irrep::make_c1_table(), madness::projector_irrep::make_c2_table(), madness::projector_irrep::make_c2h_table(), madness::projector_irrep::make_c2v_table(), madness::projector_irrep::make_ci_table(), madness::projector_irrep::make_cs_table(), madness::projector_irrep::make_d2_table(), madness::projector_irrep::make_d2h_table(), madness::projector_irrep::print_character_table(), madness::projector_irrep::project_on_irreps(), test_orthogonalization(), and test_projector().

order_

int madness::charactertable::order_

order of the point group

Referenced by madness::projector_irrep::apply_symmetry_operators(), main(), madness::projector_irrep::make_c1_table(), madness::projector_irrep::make_c2_table(), madness::projector_irrep::make_c2h_table(), madness::projector_irrep::make_c2v_table(), madness::projector_irrep::make_ci_table(), madness::projector_irrep::make_cs_table(), madness::projector_irrep::make_d2_table(), madness::projector_irrep::make_d2h_table(), madness::projector_irrep::project_on_irreps(), madness::projector_irrep::reduce(), test_orthogonalization(), and test_projector().

schoenflies_

std::string madness::charactertable::schoenflies_

Schoenflies symbol of the point group.

Referenced by madness::projector_irrep::apply_symmetry_operators(), madness::projector_irrep::get_pointgroup(), madness::projector_irrep::make_c1_table(), madness::projector_irrep::make_c2_table(), madness::projector_irrep::make_c2h_table(), madness::projector_irrep::make_c2v_table(), madness::projector_irrep::make_ci_table(), madness::projector_irrep::make_cs_table(), madness::projector_irrep::make_d2_table(), madness::projector_irrep::make_d2h_table(), madness::projector_irrep::print_character_table(), madness::projector_irrep::print_info(), madness::projector_irrep::project_on_irreps(), and madness::projector_irrep::set_irrep().

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The documentation for this struct was generated from the following file:

• pointgroupsymmetry.h