CASM
AClustersApproachtoStatisticalMechanics
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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 |
Namespaces | |
CASM | |
Main CASM namespace. | |
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) |