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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 |