lr_util_hcontainer.h File Reference

#include "source_estate/module_dm/density_matrix.h"
#include <numeric>
#include "source_base/parallel_reduce.h"

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Namespaces
namespace	LR_Util

Functions
template<typename TR >
void	LR_Util::print_HR (const hamilt::HContainer< TR > &HR, const int &nat, const std::string &label, const double &threshold=1e-10)
template<typename TK , typename TR >
void	LR_Util::print_DMR (const elecstate::DensityMatrix< TK, TR > &DMR, const int &nat, const std::string &label, const double &threshold=1e-10)
void	LR_Util::get_DMR_real_imag_part (const elecstate::DensityMatrix< std::complex< double >, std::complex< double > > &DMR, elecstate::DensityMatrix< std::complex< double >, double > &DMR_real, const int &nat, const char &type)
void	LR_Util::set_HR_real_imag_part (const hamilt::HContainer< double > &HR_real, hamilt::HContainer< std::complex< double > > &HR, const int &nat, const char &type)
template<typename T , typename TR >
void	LR_Util::initialize_HR (hamilt::HContainer< TR > &hR, const UnitCell &ucell, const Grid_Driver &gd, const std::vector< double > &orb_cutoff)
template<typename T , typename TR >
void	LR_Util::initialize_DMR (elecstate::DensityMatrix< T, TR > &dm, const Parallel_Orbitals &pmat, const UnitCell &ucell, const Grid_Driver &gd, const std::vector< double > &orb_cutoff)
template<typename TR1 , typename TR2 >
TR1	LR_Util::dot_R_matrix (const hamilt::HContainer< TR1 > &h1, const hamilt::HContainer< TR2 > &h2, const int &nat)
	$\sum_{uvR} H1_{uv}(R) H2_{uv}(R)$