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uxc_data Struct Reference

Public Attributes

const realdmata
 
const realdmatb
 
const BasisInfoStructbis
 
const Moleculemol
 
const Dft::GridParamsgss
 
realxca
 
realxcb
 
real edfty
 
real el
 
int nElectrons
 
int nThreads
 

Member Data Documentation

const BasisInfoStruct* uxc_data::bis
const real* uxc_data::dmata
const real * uxc_data::dmatb
real uxc_data::edfty

Referenced by dft_get_uxc_worker().

real uxc_data::el

Referenced by dft_get_uxc_worker().

const Dft::GridParams* uxc_data::gss
const Molecule* uxc_data::mol
int uxc_data::nElectrons
int uxc_data::nThreads

Referenced by dft_get_uxc_worker().

real* uxc_data::xca
real * uxc_data::xcb

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