Classes | |
class | Matrix |
Generic matrix interface. More... | |
class | FullMatrix |
struct | HiCuGridParams |
A structure describing the HiCu grid settings. More... | |
struct | GridParams |
A structure describing the grid settings. More... | |
Functions | |
real | integrate (int ndmat, const FullMatrix *const *dmat, const BasisInfoStruct &bis, const Molecule &mol, const Dft::GridParams &gss, int nThreads, DftBlockCallback cb, void *cb_data) |
real | integrate (int nDmat, const SparseMatrix *const *dmat, const BasisInfoStruct &bis, const Molecule &mol, const Dft::GridParams &gss, int nThreads, DftBlockCallback cb, void *cb_data) |
real Dft::integrate | ( | int | ndmat, | |
const FullMatrix *const * | dmat, | |||
const BasisInfoStruct & | bis, | |||
const Molecule & | mol, | |||
const Dft::GridParams & | gss, | |||
int | nThreads, | |||
DftBlockCallback | cb, | |||
void * | cb_data | |||
) |
real Dft::integrate | ( | int | nDmat, | |
const SparseMatrix *const * | dmat, | |||
const BasisInfoStruct & | bis, | |||
const Molecule & | mol, | |||
const Dft::GridParams & | gss, | |||
int | nThreads, | |||
DftBlockCallback | cb, | |||
void * | cb_data | |||
) |