#include "grid_reader.h"
Go to the source code of this file.
Defines | |
#define | _XC_MATRIX_H_ 1 |
Functions | |
EXTERN_C real | dft_get_xc_mt (int nElectrons, const real *dmat, const BasisInfoStruct *bis, const Molecule *mol, const Dft::GridParams &gss, real *ksm, real *edfty) |
EXTERN_C real | dft_get_uxc_mt (int nElectrons, const real *dmata, const real *dmatb, const BasisInfoStruct *bis, const Molecule *mol, const Dft::GridParams &gss, real *xca, real *xcb, real *edfty) |
#define _XC_MATRIX_H_ 1 |
EXTERN_C real dft_get_uxc_mt | ( | int | nElectrons, | |
const real * | dmata, | |||
const real * | dmatb, | |||
const BasisInfoStruct * | bis, | |||
const Molecule * | mol, | |||
const Dft::GridParams & | gss, | |||
real * | xca, | |||
real * | xcb, | |||
real * | edfty | |||
) |
EXTERN_C real dft_get_xc_mt | ( | int | nElectrons, | |
const real * | dmat, | |||
const BasisInfoStruct * | bis, | |||
const Molecule * | mol, | |||
const Dft::GridParams & | gss, | |||
real * | ksm, | |||
real * | edfty | |||
) |