Erfc-screened Spherical-truncated exchange. More...

#include <Coulomb_internal.h>

Public Member Functions
__hostanddev__ double	operator() (double kSq) const

__hostanddev__ double	latticeGradientPrefac (double kSq, double &grad_lnDetR) const

Public Attributes
double *	coeff
	quintic spline coefficients

double	dGinv
	inverse of coefficient spacing

size_t	nSamples
	number of coefficients

double	Rc
	truncation radius

double	erfcOmegaRc_4piBy3
	(4 pi/3) erfc(omega*Rc), where omega is the screening parameter

Detailed Description

Erfc-screened Spherical-truncated exchange.

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

Public Member Functions