Niggli.hh File Reference

#include <vector>
#include "casm/external/Eigen/Core"
#include "casm/global/definitions.hh"

Go to the source code of this file.

Classes
class	CASM::xtal::NiggliRep
class	CASM::xtal::StandardOrientationCompare

Namespaces
	CASM
	Main CASM namespace.
	CASM::xtal

Functions
Index	CASM::xtal::niggli_index (const Eigen::Matrix3d &test_lat_mat, double compare_tol)
	Number of niggli criteria met. More...
Lattice	CASM::xtal::niggli (const Lattice &in_lat, double compare_tol, bool keep_handedness=false)
bool	CASM::xtal::is_niggli (const Eigen::Matrix3d &test_lat_mat, double compare_tol)
bool	CASM::xtal::is_niggli (const Lattice &test_lat, double compare_tol)
	Check whether the given lattice is niggli (does not check for orientation) More...
Eigen::VectorXd	CASM::xtal::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::xtal::standard_orientation_spatial_compare (const Eigen::Matrix3d &low_score_lat_mat, Eigen::Matrix3d &high_score_lat_mat, double compare_tol)
	Compare the spatial orientation (ignoring matrix symmetry) and determine which one is oriented more standard. True if high is more standard. More...
bool	CASM::xtal::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...