uxc_data Struct Reference

Public Attributes
const real *	dmata
const real *	dmatb
const BasisInfoStruct *	bis
const Molecule *	mol
const Dft::GridParams *	gss
real *	xca
real *	xcb
real	edfty
real	el
int	nElectrons
int	nThreads

Member Data Documentation

bis

const BasisInfoStruct* uxc_data::bis

Referenced by dft_get_uxc_mt(), and dft_get_uxc_worker().

dmata

const real* uxc_data::dmata

Referenced by dft_get_uxc_mt(), and dft_get_uxc_worker().

dmatb

const real * uxc_data::dmatb

Referenced by dft_get_uxc_mt(), and dft_get_uxc_worker().

edfty

real uxc_data::edfty

Referenced by dft_get_uxc_mt(), and dft_get_uxc_worker().

el

real uxc_data::el

Referenced by dft_get_uxc_worker().

gss

const Dft::GridParams* uxc_data::gss

Referenced by dft_get_uxc_mt(), and dft_get_uxc_worker().

mol

const Molecule* uxc_data::mol

Referenced by dft_get_uxc_mt(), and dft_get_uxc_worker().

nElectrons

int uxc_data::nElectrons

Referenced by dft_get_uxc_mt(), and dft_get_uxc_worker().

nThreads

int uxc_data::nThreads

Referenced by dft_get_uxc_worker().

xca

real* uxc_data::xca

Referenced by dft_get_uxc_mt(), and dft_get_uxc_worker().

xcb

real * uxc_data::xcb

Referenced by dft_get_uxc_mt(), and dft_get_uxc_worker().

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

• source/dft/xc_matrix.cc