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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
diago_elpa_utils.h File Reference
#include "source_base/module_external/blacs_connector.h"
#include "source_base/module_external/lapack_connector.h"
#include "mpi.h"
#include <complex>
#include <fstream>
#include <iomanip>
#include <iostream>
#include <math.h>
#include <random>
#include <type_traits>
#include <vector>
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Namespaces

namespace  LCAO_DIAGO_TEST
 

Functions

void LCAO_DIAGO_TEST::process_2d (int &nprows, int &npcols, int &myprow, int &mypcol, int &icontxt)
 
int LCAO_DIAGO_TEST::na_rc (int n, int nblk, int nprows, int myprow)
 
template<class T >
void LCAO_DIAGO_TEST::distribute_data (T *hmatrix, T *new_matrix, int &nFull, int &nblk, int &na_rows, int &na_cols, int &icontxt)
 
template<class T >
void LCAO_DIAGO_TEST::print_matrix (std::ofstream &fp, T *matrix, int &nrow, int &ncol, bool row_first)
 
template<class T >
bool LCAO_DIAGO_TEST::read_hs (std::string fname, T &matrix)
 
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)