conv_coulomb_pot_k.h File Reference

#include <vector>
#include <map>
#include <string>
#include "conv_coulomb_pot_k.hpp"

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Namespaces
namespace	Conv_Coulomb_Pot_K

Enumerations
enum class	Conv_Coulomb_Pot_K::Coulomb_Type { Conv_Coulomb_Pot_K::Fock , Conv_Coulomb_Pot_K::Erfc }
enum class	Conv_Coulomb_Pot_K::Ccp_Type { Conv_Coulomb_Pot_K::Ccp , Conv_Coulomb_Pot_K::Hf , Conv_Coulomb_Pot_K::Erfc , Conv_Coulomb_Pot_K::Erf }
enum class	Conv_Coulomb_Pot_K::Coulomb_Method { Conv_Coulomb_Pot_K::Center2 , Conv_Coulomb_Pot_K::Ewald }

Functions
template<typename T >
T	Conv_Coulomb_Pot_K::cal_orbs_ccp (const T &orbs, const std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > > &coulomb_param, const double rmesh_times)
template<typename T >
double	Conv_Coulomb_Pot_K::get_rmesh_proportion (const T &orbs, const double psi_threshold)
std::vector< double >	Conv_Coulomb_Pot_K::cal_psi_fock_limits (const std::vector< double > &psif)
std::vector< double >	Conv_Coulomb_Pot_K::cal_psi_fock_spencer (const std::vector< double > &psif, const std::vector< double > &k_radial, const double rcut)
std::vector< double >	Conv_Coulomb_Pot_K::cal_psi_erfc_limits (const std::vector< double > &psif, const std::vector< double > &k_radial, const double erfc_omega)
std::vector< double >	Conv_Coulomb_Pot_K::cal_psi_erfc_spencer (const std::vector< double > &psif, const std::vector< double > &k_radial, const double erfc_omega, const double rcut)