Supercell.hh File Reference

#include "casm/clex/HasCanonicalForm.hh"
#include "casm/clex/HasPrimClex.hh"
#include "casm/clex/SupercellTraits.hh"
#include "casm/crystallography/Lattice.hh"
#include "casm/database/Named.hh"
#include "casm/misc/Comparisons.hh"
#include "casm/misc/cloneable_ptr.hh"
#include "casm/symmetry/SupercellSymInfo.hh"
#include "casm/symmetry/SymGroup.hh"
#include "casm/symmetry/SymGroupRepID.hh"

Go to the source code of this file.

Classes
class	CASM::Supercell
	Represents a supercell of the primitive parent crystal structure. More...

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

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)
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...