ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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apply U_operator to the wave function of the previous step for new wave function 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>
Go to the source code of this file.
Namespaces | |
namespace | module_rt |
Functions | |
void | module_rt::upsi (const Parallel_Orbitals *pv, const int nband, const int nlocal, const std::complex< double > *U_operator, const std::complex< double > *psi_k_laststep, std::complex< double > *psi_k, std::ofstream &ofs_running, const int print_matrix) |
apply U_operator to the wave function of the previous step for new wave function | |
void | module_rt::upsi_tensor (const Parallel_Orbitals *pv, const int nband, const int nlocal, const ct::Tensor &U_operator, const ct::Tensor &psi_k_laststep, ct::Tensor &psi_k, std::ofstream &ofs_running, const int print_matrix) |
template<typename Device > | |
void | module_rt::upsi_tensor_lapack (const Parallel_Orbitals *pv, const int nband, const int nlocal, const ct::Tensor &U_operator, const ct::Tensor &psi_k_laststep, ct::Tensor &psi_k, std::ofstream &ofs_running, const int print_matrix) |
apply U_operator to the wave function of the previous step for new wave function This file originally belonged to file LCAO_evolve.cpp