Detailed Description

Relates to symmetry groups.

Classes
class	CASM::SymGroup
	SymGroup is a collection of symmetry operations that satisfy the group property The symmetry operations are stored as their coordinate representation, as described by the SymOp class i.e., if SymOps 'A' and 'B' are in SymGroup, C=A*B is also in SymGroup if 'A' is in SymGroup, then A.inverse() is in SymGroup SymGroup always contains an identity operation. More...

class	CASM::MasterSymGroup

class	CASM::SymGroupRep
	SymGroupRep is an alternative representation of a SymGroup for something other than real space. There is a one-to-one correspondence of SymOps in some SymGroup with the SymOpRepresentations in SymGroupRep SymGroupRep does not know or care about the specifics of what the SymOpRepresentations describe or how they are implemented. More...

class	CASM::SymGroupRepID
	Type-safe ID object for communicating and accessing Symmetry representation info. More...

Enumerations
enum	CASM::SymGroupRep::NullInitializer { CASM::SymGroupRep::NO_HOME }

Functions
jsonParser &	CASM::to_json (const SymGroup &group, jsonParser &json)

void	CASM::from_json (SymGroup &group, const jsonParser &json)

SymGroup	CASM::molecular_point_group (std::map< int, std::vector< Eigen::Vector3d > > coord_map)

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)

Enumeration Type Documentation

Enumerator
NO_HOME

Definition at line 33 of file SymGroupRep.hh.

Definition at line 4646 of file SymGroup.cc.

re-throw exceptions

Definition at line 3930 of file SymGroup.cc.

SymGroup CASM::molecular_point_group ( std::map< int, std::vector< Eigen::Vector3d > > coord_map )

Definition at line 3941 of file SymGroup.cc.

Definition at line 3926 of file SymGroup.cc.

Definition at line 4668 of file SymGroup.cc.