bandgap | elecstate::ElecState | |
bandgap_dw | elecstate::ElecState | |
bandgap_up | elecstate::ElecState | |
bigpw | elecstate::ElecState | |
cal_bandgap() | elecstate::ElecState | |
cal_bandgap_updw() | elecstate::ElecState | |
cal_converged() | elecstate::ElecState | |
cal_delta_eband(const UnitCell &ucell) const | elecstate::ElecState | |
cal_delta_escf() const | elecstate::ElecState | |
cal_energies(const int type) | elecstate::ElecState | |
cal_tau(const psi::Psi< TK > &psi) override | elecstate::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::ElecState | inlinevirtual |
charge | elecstate::ElecState | |
classname | elecstate::ElecState | |
DM | elecstate::ElecStateLCAO< TK > | |
eferm | elecstate::ElecState | |
ekb | elecstate::ElecState | |
ElecState() | elecstate::ElecState | inline |
ElecState(Charge *charge_in, ModulePW::PW_Basis *rhopw_in, ModulePW::PW_Basis_Big *bigpw_in) | elecstate::ElecState | inline |
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_en | elecstate::ElecState | |
get_dftu_energy() | elecstate::ElecState | |
get_DM() const | elecstate::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() override | elecstate::ElecStateLCAO< TK > | virtual |
get_spin_constrain_energy() | elecstate::ElecStateLCAO< TK > | virtual |
get_spin_constrain_energy() | elecstate::ElecStateLCAO< TK > | virtual |
getNewRho() | elecstate::ElecState | inlinevirtual |
getRho(int spin) const | elecstate::ElecState | virtual |
gint_gamma | elecstate::ElecStateLCAO< TK > | protected |
gint_k | elecstate::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 | |
iter | elecstate::ElecState | |
klist | elecstate::ElecState | |
need_psi_grid | elecstate::ElecStateLCAO< TK > | static |
nelec_spin | elecstate::ElecState | |
omega | elecstate::ElecState | |
out_wfc_lcao | elecstate::ElecStateLCAO< TK > | static |
pot | elecstate::ElecState | |
print_psi(const psi::Psi< double > &psi_in, const int istep=-1) | elecstate::ElecState | inlinevirtual |
print_psi(const psi::Psi< std::complex< double > > &psi_in, const int istep=-1) | elecstate::ElecState | inlinevirtual |
psiToRho(const psi::Psi< TK > &psi) override | elecstate::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_weights | elecstate::ElecState | |
vnew | elecstate::ElecState | |
vnew_exist | elecstate::ElecState | |
wg | elecstate::ElecState | |
~ElecState() | elecstate::ElecState | inlinevirtual |
~ElecStateLCAO() | elecstate::ElecStateLCAO< TK > | inlinevirtual |