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Atomic-orbital Based Ab-initio Computation at UStc
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elecstate::ElecStateLCAO< TK > Member List

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

bandgapelecstate::ElecState
bandgap_dwelecstate::ElecState
bandgap_upelecstate::ElecState
bigpwelecstate::ElecState
cal_bandgap()elecstate::ElecState
cal_bandgap_updw()elecstate::ElecState
cal_converged()elecstate::ElecState
cal_delta_eband(const UnitCell &ucell) constelecstate::ElecState
cal_delta_escf() constelecstate::ElecState
cal_energies(const int type)elecstate::ElecState
cal_tau(const psi::Psi< TK > &psi) overrideelecstate::ElecStateLCAO< TK >virtual
cal_tau(const psi::Psi< std::complex< double > > &psi)elecstate::ElecStateLCAO< TK >virtual
cal_tau(const psi::Psi< double > &psi)elecstate::ElecStateLCAO< TK >virtual
elecstate::ElecState::cal_tau(const psi::Psi< std::complex< float > > &psi)elecstate::ElecStateinlinevirtual
chargeelecstate::ElecState
classnameelecstate::ElecState
DMelecstate::ElecStateLCAO< TK >
efermelecstate::ElecState
ekbelecstate::ElecState
ElecState()elecstate::ElecStateinline
ElecState(Charge *charge_in, ModulePW::PW_Basis *rhopw_in, ModulePW::PW_Basis_Big *bigpw_in)elecstate::ElecStateinline
ElecStateLCAO()elecstate::ElecStateLCAO< TK >inline
ElecStateLCAO(Charge *chg_in, const K_Vectors *klist_in, int nks_in, Gint_Gamma *gint_gamma_in, Gint_k *gint_k_in, ModulePW::PW_Basis *rhopw_in, ModulePW::PW_Basis_Big *bigpw_in)elecstate::ElecStateLCAO< TK >inline
f_enelecstate::ElecState
get_dftu_energy()elecstate::ElecState
get_DM() constelecstate::ElecStateLCAO< TK >inline
get_etot_efield()elecstate::ElecState
get_etot_gatefield()elecstate::ElecState
get_hartree_energy()elecstate::ElecState
get_local_pp_energy()elecstate::ElecState
get_solvent_model_Acav()elecstate::ElecState
get_solvent_model_Ael()elecstate::ElecState
get_spin_constrain_energy() overrideelecstate::ElecStateLCAO< TK >virtual
get_spin_constrain_energy()elecstate::ElecStateLCAO< TK >virtual
get_spin_constrain_energy()elecstate::ElecStateLCAO< TK >virtual
getNewRho()elecstate::ElecStateinlinevirtual
getRho(int spin) constelecstate::ElecStatevirtual
gint_gammaelecstate::ElecStateLCAO< TK >protected
gint_kelecstate::ElecStateLCAO< TK >protected
init_DM(const K_Vectors *kv, const Parallel_Orbitals *paraV, const int nspin)elecstate::ElecStateLCAO< TK >
init_ks(Charge *chg_in, const K_Vectors *klist_in, int nk_in, ModulePW::PW_Basis *rhopw_in, const ModulePW::PW_Basis_Big *bigpw_in)elecstate::ElecState
init_nelec_spin()elecstate::ElecState
init_scf(const int istep, const UnitCell &ucell, const Parallel_Grid &pgrid, const ModuleBase::ComplexMatrix &strucfac, const bool *numeric, ModuleSymmetry::Symmetry &symm, const void *wfcpw=nullptr)elecstate::ElecState
iterelecstate::ElecState
klistelecstate::ElecState
need_psi_gridelecstate::ElecStateLCAO< TK >static
nelec_spinelecstate::ElecState
omegaelecstate::ElecState
out_wfc_lcaoelecstate::ElecStateLCAO< TK >static
potelecstate::ElecState
print_psi(const psi::Psi< double > &psi_in, const int istep=-1)elecstate::ElecStateinlinevirtual
print_psi(const psi::Psi< std::complex< double > > &psi_in, const int istep=-1)elecstate::ElecStateinlinevirtual
psiToRho(const psi::Psi< TK > &psi) overrideelecstate::ElecStateLCAO< TK >virtual
psiToRho(const psi::Psi< std::complex< double > > &psi)elecstate::ElecStateLCAO< TK >virtual
psiToRho(const psi::Psi< double > &psi)elecstate::ElecStateLCAO< TK >virtual
set_exx(const double &Eexx)elecstate::ElecState
set_exx(const std::complex< double > &Eexx)elecstate::ElecState
skip_weightselecstate::ElecState
vnewelecstate::ElecState
vnew_existelecstate::ElecState
wgelecstate::ElecState
~ElecState()elecstate::ElecStateinlinevirtual
~ElecStateLCAO()elecstate::ElecStateLCAO< TK >inlinevirtual