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Atomic-orbital Based Ab-initio Computation at UStc
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Ewald_Vq< Tdata > Member List

This is the complete list of members for Ewald_Vq< Tdata >, including all inherited members.

atoms_vecEwald_Vq< Tdata >private
cal_dVq(const UnitCell &ucell, const double &chi, std::map< TA, std::map< TAC, std::array< RI::Tensor< Tdata >, Ndim > > > &dVs_in)Ewald_Vq< Tdata >inline
cal_dVq_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0_k, const std::vector< TAK > &list_A1_k, const double &chi, const int &shift_for_mpi)Ewald_Vq< Tdata >inlineprivate
cal_dVq_minus_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0, const std::vector< TAC > &list_A1, std::map< TA, std::map< TAC, std::array< RI::Tensor< Tdata >, Ndim > > > &dVs_minus_gauss)Ewald_Vq< Tdata >inlineprivate
cal_dVs(const UnitCell &ucell, const double &chi, std::map< TA, std::map< TAC, std::array< RI::Tensor< Tdata >, Ndim > > > &dVs_in)Ewald_Vq< Tdata >inline
cal_dVs_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0, const std::vector< TAC > &list_A1)Ewald_Vq< Tdata >inlineprivate
cal_dVs_minus_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0, const std::vector< TAC > &list_A1, std::map< TA, std::map< TAC, std::array< RI::Tensor< Tdata >, Ndim > > > &dVs_in)Ewald_Vq< Tdata >inlineprivate
cal_V_Rcut(const int it0, const int it1)Ewald_Vq< Tdata >inlineprivate
cal_Vq(const UnitCell &ucell, const double &chi, std::map< TA, std::map< TAC, RI::Tensor< Tdata > > > &Vs_in)Ewald_Vq< Tdata >inline
cal_Vq_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0_k, const std::vector< TAK > &list_A1_k, const double &chi, const int &shift_for_mpi)Ewald_Vq< Tdata >inlineprivate
cal_Vq_minus_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0, const std::vector< TAC > &list_A1, std::map< TA, std::map< TAC, RI::Tensor< Tdata > > > &Vs_minus_gauss)Ewald_Vq< Tdata >inlineprivate
cal_Vs(const UnitCell &ucell, const double &chi, std::map< TA, std::map< TAC, RI::Tensor< Tdata > > > &Vs_in)Ewald_Vq< Tdata >inline
cal_Vs_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0, const std::vector< TAC > &list_A1)Ewald_Vq< Tdata >inlineprivate
cal_Vs_minus_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0, const std::vector< TAC > &list_A1, std::map< TA, std::map< TAC, RI::Tensor< Tdata > > > &Vs_in)Ewald_Vq< Tdata >inlineprivate
ccp_rmesh_timesEwald_Vq< Tdata >private
coulomb_paramEwald_Vq< Tdata >private
cvEwald_Vq< Tdata >private
ewald_lambdaEwald_Vq< Tdata >private
Ewald_Vq()Ewald_Vq< Tdata >
g_abfsEwald_Vq< Tdata >private
g_abfs_ccpEwald_Vq< Tdata >private
g_abfs_ccp_rcutEwald_Vq< Tdata >private
g_lcaosEwald_Vq< Tdata >private
g_lcaos_rcutEwald_Vq< Tdata >private
gauntEwald_Vq< Tdata >private
gaussian_abfsEwald_Vq< Tdata >private
get_Rcut_max(const int it0, const int it1)Ewald_Vq< Tdata >inlineprivate
get_singular_chi(const UnitCell &ucell, const std::vector< std::map< std::string, std::string > > &param_list, const double &qdiv)Ewald_Vq< Tdata >
index_abfsEwald_Vq< Tdata >private
init(const UnitCell &ucell, const LCAO_Orbitals &orb, const MPI_Comm &mpi_comm_in, const K_Vectors *kv_in, std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &lcaos_in, std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &abfs_in, const std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > > &coulomb_param_in, std::shared_ptr< ORB_gaunt_table > MGT_in, const double &ccp_rmesh_times_in, const double &kmesh_times_in)Ewald_Vq< Tdata >
init_gauss(std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orb_in)Ewald_Vq< Tdata >private
init_ions(const UnitCell &ucell, const std::array< Tcell, Ndim > &period_Vs_NAO)Ewald_Vq< Tdata >
kvec_cEwald_Vq< Tdata >private
lcaos_rcutEwald_Vq< Tdata >private
list_A0Ewald_Vq< Tdata >private
list_A0_kEwald_Vq< Tdata >private
list_A0_pair_kEwald_Vq< Tdata >private
list_A0_pair_REwald_Vq< Tdata >private
list_A0_pair_R_periodEwald_Vq< Tdata >private
list_A1Ewald_Vq< Tdata >private
list_A1_kEwald_Vq< Tdata >private
list_A1_pair_kEwald_Vq< Tdata >private
list_A1_pair_REwald_Vq< Tdata >private
list_A1_pair_R_periodEwald_Vq< Tdata >private
mpi_commEwald_Vq< Tdata >private
multipoleEwald_Vq< Tdata >private
NdimEwald_Vq< Tdata >privatestatic
nks0Ewald_Vq< Tdata >private
nmpEwald_Vq< Tdata >private
nspin0Ewald_Vq< Tdata >private
p_kvEwald_Vq< Tdata >private
set_Vq_dVq(const UnitCell &ucell, const std::vector< TA > &list_A0_pair_k, const std::vector< TAK > &list_A1_pair_k, std::map< TA, std::map< TAC, Tin > > &Vs_dVs_minus_gauss_in, const T_func_DPcal_Vq_dVq_minus_gauss< Tout, Tin > &func_cal_Vq_dVq_minus_gauss, const T_func_DPcal_Vq_dVq_gauss< Tout > &func_cal_Vq_dVq_gauss)Ewald_Vq< Tdata >private
set_Vq_dVq(const UnitCell &ucell, const std::vector< TA > &list_A0_pair_k, const std::vector< TAK > &list_A1_pair_k, std::map< TA, std::map< TAC, Tin > > &Vs_dVs_minus_gauss_in, const T_func_DPcal_Vq_dVq_minus_gauss< Tout, Tin > &func_cal_Vq_dVq_minus_gauss, const T_func_DPcal_Vq_dVq_gauss< Tout > &func_cal_Vq_dVq_gauss) -> std::map< TA, std::map< TAK, Tout > >Ewald_Vq< Tdata >
set_Vq_dVq_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0_k, const std::vector< TAK > &list_A1_k, const int &shift_for_mpi, const T_func_DPget_Vq_dVq< Tresult > &func_DPget_Vq_dVq)Ewald_Vq< Tdata >private
set_Vq_dVq_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0_k, const std::vector< TAK > &list_A1_k, const int &shift_for_mpi, const T_func_DPget_Vq_dVq< Tresult > &func_DPget_Vq_dVq) -> std::map< TA, std::map< TAK, Tresult > >Ewald_Vq< Tdata >
set_Vq_dVq_minus_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0, const std::vector< TAC > &list_A1, std::map< TA, std::map< TAC, Tin > > &Vs_dVs_minus_gauss)Ewald_Vq< Tdata >private
set_Vq_dVq_minus_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0, const std::vector< TAC > &list_A1, std::map< TA, std::map< TAC, Tin > > &Vs_dVs_minus_gauss) -> std::map< TA, std::map< TAK, Tout > >Ewald_Vq< Tdata >
set_Vs_dVs(const UnitCell &ucell, const std::vector< TA > &list_A0_pair_R, const std::vector< TAC > &list_A1_pair_R, std::map< TA, std::map< TAK, Tin > > &Vq)Ewald_Vq< Tdata >private
set_Vs_dVs(const UnitCell &ucell, const std::vector< TA > &list_A0_pair_R, const std::vector< TAC > &list_A1_pair_R, std::map< TA, std::map< TAK, Tin > > &Vq) -> std::map< TA, std::map< TAC, Tout > >Ewald_Vq< Tdata >
set_Vs_dVs_minus_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0, const std::vector< TAC > &list_A1, std::map< TA, std::map< TAC, Tresult > > &Vs_dVs_in, std::map< TA, std::map< TAC, Tresult > > &Vs_dVs_gauss_in)Ewald_Vq< Tdata >private
set_Vs_dVs_minus_gauss(const UnitCell &ucell, const std::vector< TA > &list_A0, const std::vector< TAC > &list_A1, std::map< TA, std::map< TAC, Tresult > > &Vs_dVs_in, std::map< TA, std::map< TAC, Tresult > > &Vs_dVs_gauss_in) -> std::map< TA, std::map< TAC, Tresult > >Ewald_Vq< Tdata >
T_func_DPcal_Vq_dVq_gauss typedefEwald_Vq< Tdata >private
T_func_DPcal_Vq_dVq_minus_gauss typedefEwald_Vq< Tdata >private
T_func_DPget_Vq_dVq typedefEwald_Vq< Tdata >private
TA typedefEwald_Vq< Tdata >private
TAC typedefEwald_Vq< Tdata >private
TAK typedefEwald_Vq< Tdata >private
TC typedefEwald_Vq< Tdata >private
Tcell typedefEwald_Vq< Tdata >private
TK typedefEwald_Vq< Tdata >private
~Ewald_Vq()Ewald_Vq< Tdata >