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Atomic-orbital Based Ab-initio Computation at UStc
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Charge_Mixing Member List

This is the complete list of members for Charge_Mixing, including all inherited members.

_drho_historyCharge_Mixingprivate
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_Mixingprivate
close_kerker_gg0()Charge_Mixinginline
combine_data(std::complex< double > *data_d, std::complex< double > *&data_s, std::complex< double > *&data_hf)Charge_Mixingprivate
divide_data(std::complex< double > *data_d, std::complex< double > *&data_s, std::complex< double > *&data_hf)Charge_Mixingprivate
dmr_mdataCharge_Mixingprivate
get_dkin(Charge *chr, const double nelec)Charge_Mixing
get_drho(Charge *chr, const double nelec)Charge_Mixing
get_mixing() constCharge_Mixinginline
get_mixing_beta() constCharge_Mixinginline
get_mixing_gg0() constCharge_Mixinginline
get_mixing_mode() constCharge_Mixinginline
get_mixing_ndim() constCharge_Mixinginline
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_Mixingprivate
inner_product_recip_hartree(std::complex< double > *rho1, std::complex< double > *rho2)Charge_Mixingprivate
inner_product_recip_rho(std::complex< double > *rho1, std::complex< double > *rho2)Charge_Mixingprivate
inner_product_recip_simple(std::complex< double > *rho1, std::complex< double > *rho2)Charge_Mixingprivate
Kerker_screen_real(double *rho)Charge_Mixingprivate
Kerker_screen_recip(std::complex< double > *rhog)Charge_Mixingprivate
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_Mixingprivate
mix_rho_recip(Charge *chr)Charge_Mixingprivate
mixingCharge_Mixingprivate
mixing_angleCharge_Mixingprivate
mixing_betaCharge_Mixingprivate
mixing_beta_magCharge_Mixingprivate
mixing_dmrCharge_Mixingprivate
mixing_gg0Charge_Mixingprivate
mixing_gg0_magCharge_Mixingprivate
mixing_gg0_minCharge_Mixingprivate
mixing_highfCharge_Mixingprivate
mixing_modeCharge_Mixingprivate
mixing_ndimCharge_Mixingprivate
mixing_restart_countCharge_Mixing
mixing_restart_lastCharge_Mixing
mixing_restart_stepCharge_Mixing
mixing_tauCharge_Mixingprivate
new_e_iterationCharge_Mixingprivate
nhat_mdataCharge_Mixingprivate
omegaCharge_Mixingprivate
rho_mdataCharge_Mixingprivate
rhodpwCharge_Mixingprivate
rhopwCharge_Mixingprivate
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_mdataCharge_Mixingprivate
tpibaCharge_Mixingprivate
tpiba2Charge_Mixingprivate
~Charge_Mixing()Charge_Mixing