norm_psi.h File Reference

normalize the 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>

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Namespaces
namespace	module_rt

Functions
void	module_rt::norm_psi (const Parallel_Orbitals *pv, const int nband, const int nlocal, const std::complex< double > *Stmp, std::complex< double > *psi_k, std::ofstream &ofs_running, const int print_matrix)
	normalize the wave function
void	module_rt::norm_psi_tensor (const Parallel_Orbitals *pv, const int nband, const int nlocal, const ct::Tensor &Stmp, ct::Tensor &psi_k, std::ofstream &ofs_running, const int print_matrix)
template<typename Device >
void	module_rt::norm_psi_tensor_lapack (const Parallel_Orbitals *pv, const int nband, const int nlocal, const ct::Tensor &Stmp, ct::Tensor &psi_k, std::ofstream &ofs_running, const int print_matrix)

Detailed Description

normalize the wave function This file originally belonged to file LCAO_evolve.cpp