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Atomic-orbital Based Ab-initio Computation at UStc
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LCAO_Deepks_Interface< TK, TR > Member List

This is the complete list of members for LCAO_Deepks_Interface< TK, TR >, including all inherited members.

LCAO_Deepks_Interface(std::shared_ptr< LCAO_Deepks< TK > > ld_in)LCAO_Deepks_Interface< TK, TR >
ldLCAO_Deepks_Interface< TK, TR >private
out_deepks_labels(const double &etot, const int &nks, const int &nat, const int &nlocal, const ModuleBase::matrix &ekb, const std::vector< ModuleBase::Vector3< double > > &kvec_d, const UnitCell &ucell, const LCAO_Orbitals &orb, const Grid_Driver &GridD, const Parallel_Orbitals *ParaV, const psi::Psi< TK > &psid, const elecstate::DensityMatrix< TK, double > *dm, hamilt::HamiltLCAO< TK, TR > *p_ham, const int &iter, const bool &conv_esolver, const int rank, std::ostream &ofs_running)LCAO_Deepks_Interface< TK, TR >