band_energy.h File Reference

#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::compute_ekb (const Parallel_Orbitals *pv, const int nband, const int nlocal, const std::complex< double > *Htmp, const std::complex< double > *psi_k, double *ekb, std::ofstream &ofs_running)
	compute band energy ekb <psi_i|H|psi_i>
void	module_rt::compute_ekb_tensor (const Parallel_Orbitals *pv, const int nband, const int nlocal, const ct::Tensor &Htmp, const ct::Tensor &psi_k, ct::Tensor &ekb, std::ofstream &ofs_running)
template<typename Device >
void	module_rt::compute_ekb_tensor_lapack (const Parallel_Orbitals *pv, const int nband, const int nlocal, const ct::Tensor &Htmp, const ct::Tensor &psi_k, ct::Tensor &ekb, std::ofstream &ofs_running)