elecstate::ElecStatePW_SDFT< T, Device > Member List

This is the complete list of members for elecstate::ElecStatePW_SDFT< T, Device >, including all inherited members.

add_usrho(const psi::Psi< T, Device > &psi)	elecstate::ElecStatePW< T, Device >	protected
addusdens_g(const Real *becsum, T **rhog)	elecstate::ElecStatePW< T, Device >	protected
bandgap	elecstate::ElecState
bandgap_dw	elecstate::ElecState
bandgap_up	elecstate::ElecState
basis	elecstate::ElecStatePW< T, Device >
becsum	elecstate::ElecStatePW< T, Device >
bigpw	elecstate::ElecState
cal_bandgap()	elecstate::ElecState
cal_bandgap_updw()	elecstate::ElecState
cal_becsum(const psi::Psi< T, Device > &psi)	elecstate::ElecStatePW< T, Device >
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< T, Device > &psi)	elecstate::ElecStatePW< T, Device >	virtual
elecstate::ElecState::cal_tau(const psi::Psi< std::complex< double > > &psi)	elecstate::ElecState	inlinevirtual
elecstate::ElecState::cal_tau(const psi::Psi< double > &psi)	elecstate::ElecState	inlinevirtual
elecstate::ElecState::cal_tau(const psi::Psi< std::complex< float > > &psi)	elecstate::ElecState	inlinevirtual
castmem_var_d2h_op typedef	elecstate::ElecStatePW_SDFT< T, Device >	private
charge	elecstate::ElecState
classname	elecstate::ElecState
ctx	elecstate::ElecStatePW< T, Device >	protected
delmem_complex_op typedef	elecstate::ElecStatePW< T, Device >	private
delmem_var_op typedef	elecstate::ElecStatePW< T, Device >	private
eferm	elecstate::ElecState
ekb	elecstate::ElecState
ElecState()	elecstate::ElecState	inline
ElecState(Charge *chr_in, ModulePW::PW_Basis *rhopw_in, ModulePW::PW_Basis_Big *bigpw_in)	elecstate::ElecState	inline
elecstate_pw_op typedef	elecstate::ElecStatePW< T, Device >	private
ElecStatePW(ModulePW::PW_Basis_K *wfc_basis_in, Charge *chr_in, K_Vectors *pkv_in, UnitCell *ucell_in, pseudopot_cell_vnl *ppcell_in, ModulePW::PW_Basis *rhodpw_in, ModulePW::PW_Basis *rhopw_in, ModulePW::PW_Basis_Big *bigpw_in)	elecstate::ElecStatePW< T, Device >
ElecStatePW_SDFT(ModulePW::PW_Basis_K *wfc_basis_in, Charge *chr_in, K_Vectors *pkv_in, UnitCell *ucell_in, pseudopot_cell_vnl *ppcell_in, ModulePW::PW_Basis *rhodpw_in, ModulePW::PW_Basis *rhopw_in, ModulePW::PW_Basis_Big *bigpw_in)	elecstate::ElecStatePW_SDFT< T, Device >	inline
f_en	elecstate::ElecState
gemm_op typedef	elecstate::ElecStatePW< T, Device >	private
gemv_op typedef	elecstate::ElecStatePW< T, Device >	private
get_dftu_energy()	elecstate::ElecState
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()	elecstate::ElecState	inlinevirtual
getNewRho()	elecstate::ElecState	inlinevirtual
getRho(int spin) const	elecstate::ElecState	virtual
init_ks(Charge *chr_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_rho	elecstate::ElecStatePW< T, Device >	protected
init_rho_data()	elecstate::ElecStatePW< T, Device >
init_rho_data()	elecstate::ElecStatePW< T, Device >
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
kin_r	elecstate::ElecStatePW< T, Device >
kin_r_data	elecstate::ElecStatePW< T, Device >	protected
klist	elecstate::ElecState
meta_op typedef	elecstate::ElecStatePW< T, Device >	private
nelec_spin	elecstate::ElecState
parallelK()	elecstate::ElecStatePW< T, Device >	protected
pot	elecstate::ElecState
ppcell	elecstate::ElecStatePW< T, Device >	protected
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< T, Device > &psi) override	elecstate::ElecStatePW_SDFT< T, Device >	virtual
elecstate::ElecState::psiToRho(const psi::Psi< std::complex< double > > &psi)	elecstate::ElecState	inlinevirtual
elecstate::ElecState::psiToRho(const psi::Psi< double > &psi)	elecstate::ElecState	inlinevirtual
Real typedef	elecstate::ElecStatePW_SDFT< T, Device >	private
resmem_complex_op typedef	elecstate::ElecStatePW< T, Device >	private
resmem_var_op typedef	elecstate::ElecStatePW< T, Device >	private
rho	elecstate::ElecStatePW< T, Device >
rho_data	elecstate::ElecStatePW< T, Device >	protected
rhoBandK(const psi::Psi< T, Device > &psi)	elecstate::ElecStatePW< T, Device >	protected
rhog	elecstate::ElecStatePW< T, Device >
rhog_data	elecstate::ElecStatePW< T, Device >	protected
rhopw_smooth	elecstate::ElecStatePW< T, Device >	protected
set_exx(const double &Eexx)	elecstate::ElecState
set_exx(const std::complex< double > &Eexx)	elecstate::ElecState
setmem_complex_op typedef	elecstate::ElecStatePW< T, Device >	private
setmem_var_op typedef	elecstate::ElecStatePW_SDFT< T, Device >	private
skip_weights	elecstate::ElecState
ucell	elecstate::ElecStatePW< T, Device >	protected
updateRhoK(const psi::Psi< T, Device > &psi)	elecstate::ElecStatePW< T, Device >	protected
vkb	elecstate::ElecStatePW< T, Device >	mutableprotected
vnew	elecstate::ElecState
vnew_exist	elecstate::ElecState
wfcr	elecstate::ElecStatePW< T, Device >	protected
wfcr_another_spin	elecstate::ElecStatePW< T, Device >	protected
wg	elecstate::ElecState
~ElecState()	elecstate::ElecState	inlinevirtual
~ElecStatePW()	elecstate::ElecStatePW< T, Device >