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Atomic-orbital Based Ab-initio Computation at UStc
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Setup_DeePKS< TK > Member List

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

before_runner(const UnitCell &ucell, const int nks, const LCAO_Orbitals &orb, Parallel_Orbitals &pv, const Input_para &inp)Setup_DeePKS< TK >
build_overlap(const UnitCell &ucell, const LCAO_Orbitals &orb, const Parallel_Orbitals &pv, const Grid_Driver &gd, TwoCenterIntegrator &overlap_orb_alpha, const Input_para &inp)Setup_DeePKS< TK >
delta_e(const UnitCell &ucell, const K_Vectors &kv, const LCAO_Orbitals &orb, const Parallel_Orbitals &pv, const Grid_Driver &gd, const std::vector< std::vector< TK > > &dm_vec, elecstate::fenergy &f_en, const Input_para &inp)Setup_DeePKS< TK >
dpks_out_typeSetup_DeePKS< TK >
ldSetup_DeePKS< TK >
Setup_DeePKS()Setup_DeePKS< TK >
write_forces(const ModuleBase::matrix &fcs, const ModuleBase::matrix &fvnl_dalpha, const Input_para &inp)Setup_DeePKS< TK >
write_stress(const ModuleBase::matrix &scs, const ModuleBase::matrix &svnl_dalpha, const double &omega, const Input_para &inp)Setup_DeePKS< TK >
~Setup_DeePKS()Setup_DeePKS< TK >