Supercell.cc File Reference

#include <boost/filesystem.hpp>
#include <boost/filesystem/fstream.hpp>
#include <boost/lexical_cast.hpp>
#include <vector>
#include "casm/basis_set/DoF.hh"
#include "casm/casm_io/Log.hh"
#include "casm/casm_io/container/stream_io.hh"
#include "casm/clex/ChemicalReference.hh"
#include "casm/clex/NeighborList.hh"
#include "casm/clex/PrimClex.hh"
#include "casm/clex/Supercell_impl.hh"
#include "casm/crystallography/BasicStructure.hh"
#include "casm/crystallography/CanonicalForm.hh"
#include "casm/crystallography/IntegralCoordinateWithin.hh"
#include "casm/crystallography/Niggli.hh"
#include "casm/crystallography/Structure.hh"
#include "casm/crystallography/SymTools.hh"
#include "casm/crystallography/io/VaspIO.hh"
#include "casm/database/Named_impl.hh"
#include "casm/database/ScelDatabase.hh"
#include "casm/global/errors.hh"

Go to the source code of this file.

Namespaces
	CASM
	Main CASM namespace.
	CASM::DB
	CASM::xtal

Functions
std::string	CASM::make_supercell_name (Structure const &prim, xtal::Superlattice const &superlattice)
	Make the supercell name from a Superlattice. More...
std::string	CASM::make_canonical_supercell_name (Structure const &prim, xtal::Superlattice const &superlattice)
	Make the canonical supercell name from a Superlattice. More...
xtal::Superlattice	CASM::make_superlattice_from_supercell_name (Structure const &prim, std::string supercell_name)
	Construct a Superlattice from the supercell name. More...
Supercell &	CASM::apply (const SymOp &op, Supercell &scel)
	Apply symmetry operation to Supercell. More...
Supercell	CASM::copy_apply (const SymOp &op, const Supercell &scel)
	Copy and apply symmetry operation to Supercell. More...
const Supercell &	CASM::make_supercell (const PrimClex &primclex, std::string name)
std::shared_ptr< Supercell >	CASM::make_shared_supercell (const PrimClex &primclex, std::string name)
Eigen::Matrix3l	CASM::transf_mat (const Lattice &prim_lat, const Lattice &super_lat, double tol)
	Make superlattice transformation matrix [deprecated]. More...
std::string	CASM::generate_name (const Eigen::Matrix3l &transf_mat)
	Make hermite normal form name [deprecated]. More...
std::string	CASM::scelname (const Structure &prim, const Lattice &superlat)
	Make supercell name name [deprecated]. More...
std::string	CASM::canonical_scelname (const Structure &prim, const Lattice &superlat)
	Make canonical supercell name name [deprecated]. More...
IntegralCoordinateWithin_f	CASM::xtal::make_bring_within_f (const Supercell &scel)
	Make IntegralCoordinateWithin_f for Supercell [deprecated]. More...