Miscellaneous utilities relating to properties of Bravais Lattices. More...

#include <core/GridInfo.h>
#include <core/Util.h>

Classes
struct	Supercell
	Supercell corresponding to a given k-point mesh. More...

struct	Supercell::KmeshTransform

class	PeriodicLookup< T >

Functions
matrix3	reduceLatticeVectors (const matrix3<> &R, matrix3< int > transmission=0, matrix3< int > invTransmission=0)

std::vector< matrix3< int > >	getSymmetries (const matrix3<> &R, vector3< bool > isTruncated=vector3< bool >(false, false, false), matrix3<> Rreduced=0, matrix3< int > transmission=0, matrix3< int > *invTransmission=0)

std::map< vector3< int >, class matrix >	getCellMap (const matrix3<> &R, const matrix3<> &Rsup, const vector3< bool > &isTruncated, const std::vector< vector3<>> &x1, const std::vector< vector3<>> &x2, double rSmooth, string fname=string())

void	writeCellMap (const std::map< vector3< int >, class matrix > &iCellMap, const matrix3<> &R, string fname)
	Write cell map to file.

std::vector< vector3<> >	readArrayVec3 (string fname)
	Read an array of vector3<> from a plain text file, useful for reading in cellMap files.

vector3	getCoord (const vector3<> &pos)

Variables
double	symmThreshold
	Relative threshold for symmetry detection.

double	symmThresholdSq

Detailed Description

Miscellaneous utilities relating to properties of Bravais Lattices.

Classes