CASM
AClustersApproachtoStatisticalMechanics
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SymGroup.hh File Reference
#include <iostream>
#include <string>
#include <iomanip>
#include "casm/symmetry/SymOp.hh"

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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)