JDFTx  1.7.0
mGGA_calc< variant, false, nCount > Struct Template Reference

#include <ExCorr_internal_mGGA.h>

Static Public Member Functions

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

Detailed Description

template<mGGA_Variant variant, int nCount>
struct mGGA_calc< variant, false, nCount >

Specialization of mGGA_calc for functionals that do not spin-scale (correlation) The current structure is designed for TPSS-like correlation functionals; this could be generalized in the future by replacing the bool template parameter spinScaling with an enum mGGAtype to provide multiple interfaces for correlation

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