deepks_vdelta.h File Reference

#include "source_base/complexmatrix.h"
#include "source_base/matrix.h"
#include "source_basis/module_ao/parallel_orbitals.h"

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Namespaces
namespace	hamilt
namespace	DeePKS_domain

Functions
template<typename TK >
void	DeePKS_domain::cal_e_delta_band (const std::vector< std::vector< TK > > &dm, const std::vector< std::vector< TK > > &V_delta, const int nks, const int nspin, const Parallel_Orbitals *pv, double &e_delta_band)
	calculate tr(\rho V_delta)
template<typename TK , typename TH >
void	DeePKS_domain::collect_h_mat (const Parallel_Orbitals &pv, const std::vector< std::vector< TK > > &h_in, std::vector< TH > &h_out, const int nlocal, const int nks)
template<typename TK , typename TH , typename TR >
void	DeePKS_domain::get_h_tot (const Parallel_Orbitals &pv, hamilt::HamiltLCAO< TK, TR > *p_ham, std::vector< TH > &h_tot, const int nlocal, const int nks, const char matrix_type)