CASM  1.1.0
A Clusters Approach to Statistical Mechanics
Structure.cc File Reference
#include "casm/crystallography/Structure.hh"
#include <sys/stat.h>
#include <sys/types.h>
#include <boost/filesystem.hpp>
#include <boost/filesystem/fstream.hpp>
#include <exception>
#include <memory>
#include <sstream>
#include <stdexcept>
#include <string>
#include <vector>
#include "casm/basis_set/Adapter.hh"
#include "casm/basis_set/DoF.hh"
#include "casm/basis_set/DoFIsEquivalent_impl.hh"
#include "casm/basis_set/DoFTraits.hh"
#include "casm/casm_io/Log.hh"
#include "casm/container/algorithm.hh"
#include "casm/crystallography/Adapter.hh"
#include "casm/crystallography/BasicStructure.hh"
#include "casm/crystallography/BasicStructureTools.hh"
#include "casm/crystallography/DoFSet.hh"
#include "casm/crystallography/IntegralCoordinateWithin.hh"
#include "casm/crystallography/SymTools.hh"
#include "casm/crystallography/SymType.hh"
#include "casm/external/Eigen/src/Core/Matrix.h"
#include "casm/misc/algorithm.hh"
#include "casm/symmetry/SupercellSymInfo.hh"
#include "casm/symmetry/SymBasisPermute.hh"
#include "casm/symmetry/SymGroupRep.hh"
#include "casm/symmetry/SymMatrixXd.hh"
#include "casm/symmetry/SymOp.hh"
#include "casm/symmetry/SymPermutation.hh"

Go to the source code of this file.

Namespaces

 CASM
 Main CASM namespace.
 

Functions

std::vector< std::vector< Index > > CASM::make_index_converter (const Structure &struc, std::vector< xtal::Molecule > mol_list)
 
std::vector< std::vector< Index > > CASM::make_index_converter (const Structure &struc, std::vector< std::string > mol_name_list)
 
std::vector< std::vector< Index > > CASM::make_index_converter_inverse (const Structure &struc, std::vector< std::string > mol_name_list)
 
std::map< DoFKey, CASM::DoFSetInfoCASM::global_dof_info (Structure const &_struc)
 
std::map< DoFKey, std::vector< CASM::DoFSetInfo > > CASM::local_dof_info (Structure const &_struc)
 
SupercellSymInfo CASM::make_supercell_sym_info (Structure const &prim, Lattice const &super_lattice)