band_energy.cpp File Reference

#include "band_energy.h"
#include "evolve_elec.h"
#include "source_base/module_container/ATen/kernels/blas.h"
#include "source_base/module_external/scalapack_connector.h"
#include <complex>
#include <iostream>

Include dependency graph for band_energy.cpp:

Namespaces
namespace	module_rt

Functions
int	module_rt::globalIndex (int localindex, int nblk, int nprocs, int myproc)
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)
template void	module_rt::compute_ekb_tensor_lapack< base_device::DEVICE_CPU > (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)