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

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

• electronic/ExCorr_internal_mGGA.h