#include <SpeciesInfo_internal.h>

Public Member Functions
__hostanddev__	nAugmentFunctor (const vector3<> &qvec, int nCoeff, double dGinv, const double *nRadial)

template<int lm>
__hostanddev__ void	operator() (const StaticLoopYlmTag< lm > &)

Public Attributes
vector3	qhat

double	q

int	nCoeff

double	dGinv

const double *	nRadial

complex	n

Detailed Description

Augment electron density by spherical functions (radial functions multiplied by spherical harmonics) and propagate gradient w.r.t to it to that w.r.t the atom position (accumulate) (In MPI mode, each process only collects contributions for a subset of G-vectors)

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

electronic/SpeciesInfo_internal.h

Public Member Functions

Public Attributes

Detailed Description