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Atomic-orbital Based Ab-initio Computation at UStc
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Exx_Opt_Orb Member List

This is the complete list of members for Exx_Opt_Orb, including all inherited members.

cal_I(const std::map< size_t, std::map< size_t, std::map< size_t, std::map< size_t, RI::Tensor< double > > > > > &ms, const size_t TA, const size_t IA, const size_t TB, const size_t IB) constExx_Opt_Orbprivate
cal_proj_11(const RI::Tensor< double > &m_big, const std::vector< RI::Tensor< double > > &m_left, const std::vector< std::vector< RI::Tensor< double > > > &m_middle, const std::vector< RI::Tensor< double > > &m_right) constExx_Opt_Orbprivate
cal_proj_12(const RI::Tensor< double > &m_big, const std::vector< RI::Tensor< double > > &m_left, const std::vector< std::vector< RI::Tensor< double > > > &m_middle, const std::vector< RI::Tensor< double > > &m_right) constExx_Opt_Orbprivate
cal_proj_21(const RI::Tensor< double > &m_big, const std::vector< RI::Tensor< double > > &m_left, const std::vector< std::vector< RI::Tensor< double > > > &m_middle, const std::vector< RI::Tensor< double > > &m_right) constExx_Opt_Orbprivate
cal_proj_22(const RI::Tensor< double > &m_big, const std::vector< RI::Tensor< double > > &m_left, const std::vector< std::vector< RI::Tensor< double > > > &m_middle, const std::vector< RI::Tensor< double > > &m_right) constExx_Opt_Orbprivate
generate_matrix(const Exx_Info::Exx_Info_Opt_ABFs &info, const K_Vectors &kv, const UnitCell &ucell, const LCAO_Orbitals &orb) constExx_Opt_Orb
get_radial_R(const UnitCell &ucell) constExx_Opt_Orbprivate
print_matrix(const Exx_Info::Exx_Info_Opt_ABFs &info, const UnitCell &ucell, const K_Vectors &kv, const std::string &file_name, const std::vector< RI::Tensor< double > > &matrix_Q, const std::vector< std::vector< RI::Tensor< double > > > &matrix_S, const RI::Tensor< double > &matrix_V, const size_t TA, const size_t IA, const size_t TB, const size_t IB, const std::vector< double > &orb_cutoff, const ModuleBase::Element_Basis_Index::Range &range_jles, const ModuleBase::Element_Basis_Index::IndexLNM &index_jles) constExx_Opt_Orbprivate