CASM  1.1.0
A Clusters Approach to Statistical Mechanics
SymGroup.cc File Reference

Go to the source code of this file.

Namespaces

 CASM
 Main CASM namespace.
 
 CASM::Local
 

Functions

static std::vector< Index > CASM::Local::_number_of_operation_types (SymGroup const &group)
 
static std::map< std::string, std::string > CASM::Local::_centric_point_group_info (std::vector< Index > const &op_types)
 
std::map< std::string, std::string > CASM::Local::_acentric_point_group_info (std::vector< Index > const &op_types)
 
static std::map< std::string, std::string > CASM::Local::_nonmagnetic_point_group_info (SymGroup const &g)
 
std::map< std::string, std::string > CASM::point_group_info (SymGroup const &group)
 return dictionary of point group info: result["centricity"] : "Centric" or "Acentric" result["crystal_system"] : cubic, hexagonal, etc result["international_name"] : Hermann-Mauguin point group name result["name"] : Schoenflies name result["latex_name"] : Schoenflies name (in LaTeX markup) result["space_group_range"] : range of possible space group numbers If group is magnetic, then point group name has form "G1(G2)" where G1 is point group name of entire group (with time-reversal turned of) and G2 is the subgroup of operations that do not effect time reversal. If G1 is identical to G2 (every operation has a time-reversed partner), then the name is G1' does not work for icosahedral groups More...
 
MasterSymGroup CASM::make_master_sym_group (SymGroup const &_group, Lattice const &_lattice)
 
bool CASM::compare_periodic (const SymOp &a, const SymOp &b, const Lattice &lat, PERIODICITY_TYPE periodicity, double _tol)
 
SymOp CASM::within_cell (const SymOp &a, const Lattice &lat, PERIODICITY_TYPE periodicity)