Public Attributes | |
const real * | dmat |
const BasisInfoStruct * | bis |
const Molecule * | mol |
const Dft::GridParams * | gss |
real * | xc |
real | edfty |
real | el |
int | nElectrons |
int | nThreads |
const BasisInfoStruct* xc_data::bis |
const real* xc_data::dmat |
const Dft::GridParams* xc_data::gss |
const Molecule* xc_data::mol |