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Atomic-orbital Based Ab-initio Computation at UStc
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Exx_Abfs::Construct_Orbs Member List

This is the complete list of members for Exx_Abfs::Construct_Orbs, including all inherited members.

abfs_same_atom(const UnitCell &ucell, const LCAO_Orbitals &orb, const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &lcaos, const double kmesh_times_mot, const double times_threshold=0)Exx_Abfs::Construct_Orbsstatic
change_orbs(const LCAO_Orbitals &orb_in, const double kmesh_times)Exx_Abfs::Construct_Orbsstatic
change_orbs(const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orb_in, const double kmesh_times)Exx_Abfs::Construct_Orbsstatic
div_r(const std::vector< std::vector< std::vector< std::vector< double > > > > &psirs, const std::vector< double > &r_radial)Exx_Abfs::Construct_Orbsprivatestatic
filter_empty_orbs(std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orbs)Exx_Abfs::Construct_Orbsstatic
get_multipole(const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orb_in)Exx_Abfs::Construct_Orbsstatic
get_psi(const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orbs)Exx_Abfs::Construct_Orbsprivatestatic
get_Rcut(const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orb_in)Exx_Abfs::Construct_Orbsstatic
get_Rmax(const std::vector< double > &rcut)Exx_Abfs::Construct_Orbsinlinestatic
get_Rmax(const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orb_in)Exx_Abfs::Construct_Orbsinlinestatic
orbital(const std::vector< std::vector< std::vector< std::vector< double > > > > &psis, const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orbs_info, const double kmesh_times)Exx_Abfs::Construct_Orbsprivatestatic
orth(const std::vector< std::vector< std::vector< std::vector< double > > > > &psis, const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &lcaos, const double norm_threshold=std::numeric_limits< double >::min())Exx_Abfs::Construct_Orbsprivatestatic
pca(const UnitCell &ucell, const LCAO_Orbitals &orb, const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &abfs, const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orbs, const double kmesh_times_mot, const double times_threshold)Exx_Abfs::Construct_Orbsprivatestatic
print_orbs_size(const UnitCell &ucell, const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orbs, std::ostream &os)Exx_Abfs::Construct_Orbsstatic
psi_mult_psi(const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &lcaos)Exx_Abfs::Construct_Orbsprivatestatic
psir_mult_psir(const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &lcaos)Exx_Abfs::Construct_Orbsprivatestatic