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Atomic-orbital Based Ab-initio Computation at UStc
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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for Exx_LRI_Interface< T, Tdata >, including all inherited members.
| cal_exx_elec(const std::vector< std::map< TA, std::map< TAC, RI::Tensor< Tdata > > > > &Ds, const UnitCell &ucell, const Parallel_Orbitals &pv, const ModuleSymmetry::Symmetry_rotation *p_symrot=nullptr) | Exx_LRI_Interface< T, Tdata > | |
| cal_exx_force(const int &nat) | Exx_LRI_Interface< T, Tdata > | |
| cal_exx_ions(const UnitCell &ucell, const bool write_cv=false) | Exx_LRI_Interface< T, Tdata > | |
| cal_exx_stress(const double &omega, const double &lat0) | Exx_LRI_Interface< T, Tdata > | |
| dm_last_step | Exx_LRI_Interface< T, Tdata > | |
| etot_last_outer_loop | Exx_LRI_Interface< T, Tdata > | |
| exx_after_converge(const UnitCell &ucell, hamilt::Hamilt< T > &hamilt, const elecstate::DensityMatrix< T, double > &dm, const K_Vectors &kv, const int &nspin, int &iter, const int &istep, const double &etot, const double &scf_ene_thr) | Exx_LRI_Interface< T, Tdata > | |
| exx_before_all_runners(const K_Vectors &kv, const UnitCell &ucell, const Parallel_2D &pv) | Exx_LRI_Interface< T, Tdata > | |
| exx_beforescf(const int istep, const K_Vectors &kv, const Charge_Mixing &chgmix, const UnitCell &ucell, const LCAO_Orbitals &orb) | Exx_LRI_Interface< T, Tdata > | |
| exx_eachiterinit(const int istep, const UnitCell &ucell, const elecstate::DensityMatrix< T, double > &dm, const K_Vectors &kv, const int &iter) | Exx_LRI_Interface< T, Tdata > | |
| exx_hamilt2rho(elecstate::ElecState &elec, const Parallel_Orbitals &pv, const int iter) | Exx_LRI_Interface< T, Tdata > | |
| exx_iter_finish(const K_Vectors &kv, const UnitCell &ucell, hamilt::Hamilt< T > &hamilt, elecstate::ElecState &elec, elecstate::DensityMatrix< T, double > *dm, Charge_Mixing &chgmix, const double &scf_ene_thr, int &iter, const int istep, bool &conv_esolver) | Exx_LRI_Interface< T, Tdata > | |
| Exx_LRI_Interface(const Exx_Info::Exx_Info_RI &info) | Exx_LRI_Interface< T, Tdata > | inline |
| Exx_LRI_Interface()=delete | Exx_LRI_Interface< T, Tdata > | |
| exx_ptr | Exx_LRI_Interface< T, Tdata > | |
| exx_spacegroup_symmetry | Exx_LRI_Interface< T, Tdata > | private |
| flag_finish | Exx_LRI_Interface< T, Tdata > | private |
| get_Eexx() const | Exx_LRI_Interface< T, Tdata > | inline |
| get_force() const | Exx_LRI_Interface< T, Tdata > | inline |
| get_Hexxs() const | Exx_LRI_Interface< T, Tdata > | inline |
| get_stress() const | Exx_LRI_Interface< T, Tdata > | inline |
| init(const MPI_Comm &mpi_comm, const UnitCell &ucell, const K_Vectors &kv, const LCAO_Orbitals &orb) | Exx_LRI_Interface< T, Tdata > | |
| mix_DMk_2D | Exx_LRI_Interface< T, Tdata > | private |
| symrot_ | Exx_LRI_Interface< T, Tdata > | private |
| TA typedef | Exx_LRI_Interface< T, Tdata > | |
| TAC typedef | Exx_LRI_Interface< T, Tdata > | |
| TC typedef | Exx_LRI_Interface< T, Tdata > | |
| two_level_step | Exx_LRI_Interface< T, Tdata > |
1.9.8