source/dft/xc_matrix.h File Reference
contains the interface of xc_matrix.cc
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#include "grid_reader.h"
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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) |
Detailed Description
contains the interface of xc_matrix.cc
Define Documentation
Function Documentation