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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 Charge_Mixing, including all inherited members.
| _drho_history | Charge_Mixing | private |
| allocate_mixing_dmr(const int nnr) | Charge_Mixing | |
| Charge_Mixing() | Charge_Mixing | |
| clean_data(std::complex< double > *&data_s, std::complex< double > *&data_hf) | Charge_Mixing | private |
| close_kerker_gg0() | Charge_Mixing | inline |
| combine_data(std::complex< double > *data_d, std::complex< double > *&data_s, std::complex< double > *&data_hf) | Charge_Mixing | private |
| divide_data(std::complex< double > *data_d, std::complex< double > *&data_s, std::complex< double > *&data_hf) | Charge_Mixing | private |
| dmr_mdata | Charge_Mixing | private |
| get_dkin(Charge *chr, const double nelec) | Charge_Mixing | |
| get_drho(Charge *chr, const double nelec) | Charge_Mixing | |
| get_mixing() const | Charge_Mixing | inline |
| get_mixing_beta() const | Charge_Mixing | inline |
| get_mixing_gg0() const | Charge_Mixing | inline |
| get_mixing_mode() const | Charge_Mixing | inline |
| get_mixing_ndim() const | Charge_Mixing | inline |
| if_scf_oscillate(const int iteration, const double drho, const int iternum_used, const double threshold) | Charge_Mixing | |
| init_mixing() | Charge_Mixing | |
| inner_product_real(double *rho1, double *rho2) | Charge_Mixing | private |
| inner_product_recip_hartree(std::complex< double > *rho1, std::complex< double > *rho2) | Charge_Mixing | private |
| inner_product_recip_rho(std::complex< double > *rho1, std::complex< double > *rho2) | Charge_Mixing | private |
| inner_product_recip_simple(std::complex< double > *rho1, std::complex< double > *rho2) | Charge_Mixing | private |
| Kerker_screen_real(double *rho) | Charge_Mixing | private |
| Kerker_screen_recip(std::complex< double > *rhog) | Charge_Mixing | private |
| mix_dmr(elecstate::DensityMatrix< double, double > *DM) | Charge_Mixing | |
| mix_dmr(elecstate::DensityMatrix< std::complex< double >, double > *DM) | Charge_Mixing | |
| mix_reset() | Charge_Mixing | |
| mix_rho(Charge *chr) | Charge_Mixing | |
| mix_rho_real(Charge *chr) | Charge_Mixing | private |
| mix_rho_recip(Charge *chr) | Charge_Mixing | private |
| mixing | Charge_Mixing | private |
| mixing_angle | Charge_Mixing | private |
| mixing_beta | Charge_Mixing | private |
| mixing_beta_mag | Charge_Mixing | private |
| mixing_dmr | Charge_Mixing | private |
| mixing_gg0 | Charge_Mixing | private |
| mixing_gg0_mag | Charge_Mixing | private |
| mixing_gg0_min | Charge_Mixing | private |
| mixing_highf | Charge_Mixing | private |
| mixing_mode | Charge_Mixing | private |
| mixing_ndim | Charge_Mixing | private |
| mixing_restart_count | Charge_Mixing | |
| mixing_restart_last | Charge_Mixing | |
| mixing_restart_step | Charge_Mixing | |
| mixing_tau | Charge_Mixing | private |
| new_e_iteration | Charge_Mixing | private |
| nhat_mdata | Charge_Mixing | private |
| omega | Charge_Mixing | private |
| rho_mdata | Charge_Mixing | private |
| rhodpw | Charge_Mixing | private |
| rhopw | Charge_Mixing | private |
| set_mixing(const std::string &mixing_mode_in, const double &mixing_beta_in, const int &mixing_ndim_in, const double &mixing_gg0_in, const bool &mixing_tau_in, const double &mixing_beta_mag_in, const double &mixing_gg0_mag_in, const double &mixing_gg0_min_in, const double &mixing_angle_in, const bool &mixing_dmr_in, double &omega_in, double &tpiba_in) | Charge_Mixing | |
| set_rhopw(ModulePW::PW_Basis *rhopw_in, ModulePW::PW_Basis *rhodpw_in) | Charge_Mixing | |
| tau_mdata | Charge_Mixing | private |
| tpiba | Charge_Mixing | private |
| tpiba2 | Charge_Mixing | private |
| ~Charge_Mixing() | Charge_Mixing |