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Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for Matrix_Orbs21, including all inherited members.
cal_grad_overlap_matrix(const size_t TA, const size_t TB, const ModuleBase::Vector3< double > &tauA, const ModuleBase::Vector3< double > &tauB, const ModuleBase::Element_Basis_Index::IndexLNM &index_A1, const ModuleBase::Element_Basis_Index::IndexLNM &index_A2, const ModuleBase::Element_Basis_Index::IndexLNM &index_B, const Matrix_Order &matrix_order) const | Matrix_Orbs21 | |
cal_overlap_matrix(const size_t TA, const size_t TB, const ModuleBase::Vector3< double > &tauA, const ModuleBase::Vector3< double > &tauB, const ModuleBase::Element_Basis_Index::IndexLNM &index_A1, const ModuleBase::Element_Basis_Index::IndexLNM &index_A2, const ModuleBase::Element_Basis_Index::IndexLNM &index_B, const Matrix_Order &matrix_order) const | Matrix_Orbs21 | |
cal_overlap_matrix_all(const UnitCell &ucell, const ModuleBase::Element_Basis_Index::IndexLNM &index_A1, const ModuleBase::Element_Basis_Index::IndexLNM &index_A2, const ModuleBase::Element_Basis_Index::IndexLNM &index_B) const | Matrix_Orbs21 | |
center2_orb21_s | Matrix_Orbs21 | private |
init(const int mode, const UnitCell &ucell, const LCAO_Orbitals &orb, const double kmesh_times, const double rmax, int &Lmax) | Matrix_Orbs21 | |
init_radial(const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orb_A1, const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orb_A2, const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orb_B, const ORB_gaunt_table &MGT) | Matrix_Orbs21 | |
init_radial(const std::vector< std::vector< std::vector< Numerical_Orbital_Lm > > > &orb_A1, const LCAO_Orbitals &orb_A2, const LCAO_Orbitals &orb_B, const ORB_gaunt_table &MGT) | Matrix_Orbs21 | |
init_radial_table() | Matrix_Orbs21 | |
init_radial_table(const std::map< size_t, std::map< size_t, std::set< double > > > &Rs) | Matrix_Orbs21 | |
lat0 | Matrix_Orbs21 | private |
lcao_dr_ | Matrix_Orbs21 | private |
Matrix_Order enum name | Matrix_Orbs21 | |
psb_ | Matrix_Orbs21 | private |