Basis Class Reference

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)
vector3< int > *	iGarr
	the (integer) G-vectors for the basis in recip. lattice coords
int *	index
	indices of the basis functions in the FFT boxes used
vector3< int > *	iGarrGpu
	GPU copy of G-vector index coefficients.
int *	indexGpu
	copy of index array on the GPU
int *	indexPref
	points to indexGpu in GPU mode and index otherwise
vector3< int > *	iGarrPref
	points to iGarrGpu in GPU mode and iGarr otherwise
std::vector< int >	head
	short list of low G basis locations (used for phase fixing)

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

• electronic/Basis.h