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

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

cal_energy_correction(const UnitCell &ucell, const int istep)Plus_U
cal_occ_pw(const int iter, const void *psi_in, const ModuleBase::matrix &wg_in, const UnitCell &cell, const double &mixing_beta)Plus_U
cal_slater_Fk(const UnitCell &ucell, const int L, const int T)Plus_Uprivate
cal_slater_UJ(const UnitCell &ucell, double **rho, const int &nrxx)Plus_U
cal_typePlus_Uprivate
cal_VU_pot_pw(const int spin)Plus_U
cal_yukawa_lambda(double **rho, const int &nrxx)Plus_Uprivate
copy_locale(const UnitCell &ucell)Plus_Uprivate
eff_pot_pwPlus_Uprivate
eff_pot_pw_indexPlus_Uprivate
energy_uPlus_Uprivatestatic
FkPlus_Uprivate
get_eff_pot_pw(const int iat) constPlus_Uinline
get_energy()Plus_Uinlinestatic
get_size_eff_pot_pw() constPlus_Uinline
iatlnmipol2iwtPlus_Uprivate
init(UnitCell &cell, const Parallel_Orbitals *pv, const int nks)Plus_U
initialed_localePlus_U
J_YukawaPlus_Uprivate
lambdaPlus_Uprivate
local_occup_bcast(const UnitCell &ucell)Plus_Uprivate
localePlus_U
locale_savePlus_U
mix_locale(const UnitCell &ucell, const double &mixing_beta)Plus_Uprivate
mixing_dftuPlus_Ustatic
omcPlus_Ustatic
orbital_corrPlus_Ustatic
output(const UnitCell &ucell)Plus_U
paraVPlus_Uprivate
Plus_U()Plus_U
read_occup_m(const UnitCell &ucell, const std::string &fn)Plus_Uprivate
set_double_energy()Plus_Uinlinestatic
set_energy(const double &e)Plus_Uinlinestatic
spherical_Bessel(const int k, const double r, const double lambda)Plus_Uprivate
spherical_Hankel(const int k, const double r, const double lambda)Plus_Uprivate
UPlus_Ustatic
U0Plus_Ustatic
u_converged()Plus_U
U_YukawaPlus_Uprivate
urampingPlus_Ustatic
uramping_update()Plus_U
write_occup_m(const UnitCell &ucell, std::ofstream &ofs, bool diag=false)Plus_Uprivate
YukawaPlus_Ustatic
zero_locale(const UnitCell &ucell)Plus_Uprivate
~Plus_U()Plus_U