JDFTx  1.7.0
GGA_calc< GGA_X_LB94, true, nCount > Struct Template Reference

#include <ExCorr_internal_GGA.h>

Static Public Member Functions

static __hostanddev__ void compute (int i, array< const double *, nCount > n, array< const double *, 2 *nCount-1 > sigma, double *E, array< double *, nCount > E_n, array< double *, 2 *nCount-1 > E_sigma, double scaleFac)

Detailed Description

template<int nCount>
struct GGA_calc< GGA_X_LB94, true, nCount >

van Leeuwen and Baerends asymptotically-correct exchange potential [PRA 49, 2421 (1994)] (Specialize the outer interface to directly set only the potential)

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