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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
middle_hamilt.cpp File Reference
#include "middle_hamilt.h"
#include "source_base/module_container/ATen/kernels/blas.h"
#include "source_base/module_device/memory_op.h"
#include "source_base/module_external/scalapack_connector.h"
#include <complex>
#include <iostream>
Include dependency graph for middle_hamilt.cpp:

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)
 
template void module_rt::half_Hmatrix_tensor_lapack< base_device::DEVICE_CPU > (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)