Niggli.cc File Reference

#include "casm/crystallography/Niggli.hh"
#include "casm/crystallography/Lattice.hh"
#include "casm/symmetry/SymGroup.hh"
#include "casm/misc/CASM_math.hh"

Go to the source code of this file.

Namespaces
	CASM
	Main CASM namespace.

Functions
bool	CASM::standard_orientation_spatial_compare (const Eigen::Matrix3d &low_score_lat_mat, const Eigen::Matrix3d &high_score_lat_mat, double compare_tol)
bool	CASM::is_niggli (const Eigen::Matrix3d &test_lat_mat, double compare_tol)
	Check whether the given lattice (represented as a matrix) is in niggli TYPE ?? reduced form (does not check for orientation) More...
bool	CASM::is_niggli (const Lattice &test_lat, double compare_tol)
	Check whether the given lattice is primitive (does not check for orientation) More...
Lattice	CASM::niggli (const Lattice &in_lat, double compare_tol, bool keep_handedness=false)
	Convert the given lattice into it's niggli reduced form, with the most standard orientation possilbe. More...
Lattice	CASM::canonical_equivalent_lattice (const Lattice &in_lat, const SymGroup &point_grp, double compare_tol)
	Find the niggli, most standard oriented version of the given orbit (defined by the given SymGroup) of lattices. More...
Eigen::VectorXd	CASM::spatial_unroll (const Eigen::Matrix3d &lat_mat, double compare_tol)
	Generate a vector whose lexicographical value determines how well it's oriented in space. More...
bool	CASM::standard_orientation_compare (const Eigen::Matrix3d &low_score_lat_mat, const Eigen::Matrix3d &high_score_lat_mat, double compare_tol)
	Determine whether high_score has a more standard format than low_score. More...