JDFTx  1.7.0
ExchangeSphericalScreened_calc Struct Reference

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: