ExchangeSphericalScreened_calc Struct Reference

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

#include <Coulomb_internal.h>

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

Public Attributes
double *	coeff
	quintic spline coefficients
double	dGinv
	inverse of coefficient spacing
size_t	nSamples
	number of coefficients

Detailed Description

Erfc-screened Spherical-truncated exchange.

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

• core/Coulomb_internal.h