middle_hamilt.h File Reference

compute H(t+dt/2) This file originally belonged to file LCAO_evolve.cpp More...

#include "source_base/module_container/ATen/core/tensor.h"
#include "source_basis/module_ao/parallel_orbitals.h"
#include <complex>

Include dependency graph for middle_hamilt.h:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Namespaces
namespace	module_rt

Functions
void	module_rt::half_Hmatrix (const Parallel_Orbitals *pv, const int nband, const int nlocal, std::complex< double > *Htmp, std::complex< double > *Stmp, const std::complex< double > *H_laststep, const std::complex< double > *S_laststep, std::ofstream &ofs_running, const int print_matrix)
	compute H(t+dt/2)
void	module_rt::half_Hmatrix_tensor (const Parallel_Orbitals *pv, const int nband, const int nlocal, ct::Tensor &Htmp, ct::Tensor &Stmp, const ct::Tensor &H_laststep, const ct::Tensor &S_laststep, std::ofstream &ofs_running, const int print_matrix)
template<typename Device >
void	module_rt::half_Hmatrix_tensor_lapack (const Parallel_Orbitals *pv, const int nband, const int nlocal, ct::Tensor &Htmp, ct::Tensor &Stmp, const ct::Tensor &H_laststep, const ct::Tensor &S_laststep, std::ofstream &ofs_running, const int print_matrix)

Detailed Description

compute H(t+dt/2) This file originally belonged to file LCAO_evolve.cpp