Wavefunction basis. More...

#include <Basis.h>

Public Member Functions
	Basis (const Basis &)
	copy by reference

Basis &	operator= (const Basis &)
	copy by reference

void	setup (const GridInfo &gInfo, const IonInfo &iInfo, double Ecut, const vector3<> k)
	Setup the indices and integer G-vectors within Ecut for kpoint k.

void	setup (const GridInfo &gInfo, const IonInfo &iInfo, const std::vector< int > &indexVec)
	Create a custom basis with an arbitrary indexing scheme.

Public Attributes
const GridInfo *	gInfo
	pointer to the grid specs

const IonInfo *	iInfo
	pointer to the ion information (basis is conceptually ultrasoft-pseudopotential dependent)

size_t	nbasis
	number of basis elements (i.e. G-vectors)

IndexVecArray	iGarr

IndexArray	index

std::vector< int >	head
	short list of low G basis locations (used for phase fixing)

Detailed Description

Wavefunction basis.

The documentation for this class was generated from the following file:

Public Member Functions