SymTools.hh File Reference

#include <vector>
#include "casm/crystallography/Adapter.hh"
#include "casm/crystallography/Coordinate.hh"
#include "casm/crystallography/LatticeIsEquivalent.hh"
#include "casm/global/definitions.hh"

Go to the source code of this file.

Namespaces
	CASM
	Main CASM namespace.
	CASM::sym
	CASM::xtal

Functions
xtal::Lattice &	CASM::sym::apply (const xtal::SymOp &op, xtal::Lattice &lat)
	Apply SymOp to a Lattice. More...
xtal::Lattice	CASM::sym::copy_apply (const xtal::SymOp &op, xtal::Lattice lat_copy)
	Copy and apply SymOp to a Lattice. More...
template<typename ExternSymOp >
xtal::Lattice	CASM::sym::copy_apply (const ExternSymOp &op, const xtal::Lattice &lat)
std::vector< Index >	CASM::xtal::invariant_subgroup_indices (const Lattice &lat, SymOpVector const &super_grp)
	Construct indices of the subgroup that leaves a lattice unchanged. More...
template<typename ExternSymOpVector >
std::vector< Index >	CASM::xtal::invariant_subgroup_indices (const Lattice &lat, ExternSymOpVector const &super_grp)
template<typename OutputIt >
OutputIt	CASM::xtal::invariant_subgroup_indices (const Lattice &lat, const std::vector< SymOp > &super_group, OutputIt result)
	Construct indices of the subgroup for which this->is_equivalent(copy_apply(op, *this)) More...
Lattice	CASM::xtal::symmetrize (const Lattice &lat, const std::vector< SymOp > &enforced_group)
	Convert a Cartesian symmetry operation representation to fractional. More...
Lattice	CASM::xtal::symmetrize (const Lattice &lat, double point_group_tolerance)
	Return a copy of the given lattice, which obeys the symmetry of its point group, when generated within the tolerance. More...
std::vector< SymOp >	CASM::xtal::make_point_group (Lattice const &_lat)
	Populate. More...
std::vector< SymOp >	CASM::xtal::make_point_group (Lattice const &_lat, double _tol)
	Populate. More...
template<typename Object , typename OpIterator >
std::pair< OpIterator, Eigen::Matrix3d >	CASM::xtal::is_equivalent_superlattice (const Object &scel, const Object &unit, OpIterator begin, OpIterator end, double tol)
template<typename LatIterator , typename SymOpIterator >
Lattice	CASM::xtal::make_equivalent_superduperlattice (LatIterator begin, LatIterator end, SymOpIterator op_begin, SymOpIterator op_end)
	returns Lattice that is smallest possible superlattice of all input Lattice More...
template<typename StructureType , typename ExternSymOpVector >
StructureType	CASM::xtal::symmetrize (const StructureType &structure, const ExternSymOpVector &enforced_group)