cal_edm_tddft.h

Go to the documentation of this file.

#ifndef CAL_EDM_TDDFT_H
#define CAL_EDM_TDDFT_H
 
#include "source_basis/module_ao/parallel_orbitals.h"
#include "source_cell/klist.h"
#include "source_hamilt/hamilt.h"
#include "source_lcao/setup_dm.h"
 
namespace elecstate
{
void print_local_matrix(std::ostream& os,
                        const std::complex<double>* matrix_data,
                        int local_rows, // pv.nrow
                        int local_cols, // pv.ncol
                        const std::string& matrix_name = "",
                        int rank = -1);
 
void cal_edm_tddft(Parallel_Orbitals& pv,
                   LCAO_domain::Setup_DM<std::complex<double>>& dmat,
                   K_Vectors& kv,
                   hamilt::Hamilt<std::complex<double>>* p_hamilt);
 
void cal_edm_tddft_tensor(Parallel_Orbitals& pv,
                          LCAO_domain::Setup_DM<std::complex<double>>& dmat,
                          K_Vectors& kv,
                          hamilt::Hamilt<std::complex<double>>* p_hamilt);
 
template <typename Device>
void cal_edm_tddft_tensor_lapack(Parallel_Orbitals& pv,
                                 LCAO_domain::Setup_DM<std::complex<double>>& dmat,
                                 K_Vectors& kv,
                                 hamilt::Hamilt<std::complex<double>>* p_hamilt);
} // namespace elecstate
#endif // CAL_EDM_TDDFT_H