ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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Functions | |
void | process_2d (int &nprows, int &npcols, int &myprow, int &mypcol, int &icontxt) |
int | na_rc (int n, int nblk, int nprows, int myprow) |
template<class T > | |
void | distribute_data (T *hmatrix, T *new_matrix, int &nFull, int &nblk, int &na_rows, int &na_cols, int &icontxt) |
template<class T > | |
void | print_matrix (std::ofstream &fp, T *matrix, int &nrow, int &ncol, bool row_first) |
template<class T > | |
bool | read_hs (std::string fname, T &matrix) |
void | lapack_diago (double *hmatrix, double *smatrix, double *e, int &nFull) |
void | lapack_diago (std::complex< double > *hmatrix, std::complex< double > *smatrix, double *e, int &nFull) |
void LCAO_DIAGO_TEST::distribute_data | ( | T * | hmatrix, |
T * | new_matrix, | ||
int & | nFull, | ||
int & | nblk, | ||
int & | na_rows, | ||
int & | na_cols, | ||
int & | icontxt | ||
) |
void LCAO_DIAGO_TEST::lapack_diago | ( | double * | hmatrix, |
double * | smatrix, | ||
double * | e, | ||
int & | nFull | ||
) |
void LCAO_DIAGO_TEST::lapack_diago | ( | std::complex< double > * | hmatrix, |
std::complex< double > * | smatrix, | ||
double * | e, | ||
int & | nFull | ||
) |
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inline |
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inline |
void LCAO_DIAGO_TEST::process_2d | ( | int & | nprows, |
int & | npcols, | ||
int & | myprow, | ||
int & | mypcol, | ||
int & | icontxt | ||
) |