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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().

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