LDA_calc< variant, nCount > Struct Template Reference

#include <ExCorr_internal_LDA.h>

Static Public Member Functions
static __hostanddev__ void	compute (int i, array< const double *, nCount > n, double *E, array< double *, nCount > E_n, double scaleFac)

Detailed Description

template<LDA_Variant variant, int nCount>
struct LDA_calc< variant, nCount >

LDA interface outer layer: Accumulate LDA energy density (per unit volume) and its density derivatives Uses template specializations of LDA_eval for each functional written in terms of rs and zeta This layer may be directly specialized for simpler functionals (eg. Slater exchange, Thomas-Fermi KE)

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

• electronic/ExCorr_internal_LDA.h