after_all_runners(UnitCell &ucell) override | LR::ESolver_LR< T, TR > | virtual |
after_scf(UnitCell &ucell, const int istep, const bool conv_esolver) | ModuleESolver::ESolver_FP | protectedvirtual |
before_all_runners(UnitCell &ucell, const Input_para &inp) override | LR::ESolver_LR< T, TR > | inlinevirtual |
before_scf(UnitCell &ucell, const int istep) | ModuleESolver::ESolver_FP | protectedvirtual |
cal_energy() override | LR::ESolver_LR< T, TR > | inlinevirtual |
cal_force(UnitCell &ucell, ModuleBase::matrix &force) override | LR::ESolver_LR< T, TR > | inlinevirtual |
cal_stress(UnitCell &ucell, ModuleBase::matrix &stress) override | LR::ESolver_LR< T, TR > | inlinevirtual |
CE | ModuleESolver::ESolver_FP | protected |
chr | ModuleESolver::ESolver_FP | protected |
classname | ModuleESolver::ESolver | |
conv_esolver | ModuleESolver::ESolver | |
eig_ks | LR::ESolver_LR< T, TR > | protected |
ESolver() | ModuleESolver::ESolver | inline |
ESolver_FP() | ModuleESolver::ESolver_FP | |
ESolver_LR(ModuleESolver::ESolver_KS_LCAO< T, TR > &&ks_sol, const Input_para &inp, UnitCell &ucell) | LR::ESolver_LR< T, TR > | |
ESolver_LR(const Input_para &inp, UnitCell &ucell) | LR::ESolver_LR< T, TR > | |
gd | LR::ESolver_LR< T, TR > | protected |
gint_ | LR::ESolver_LR< T, TR > | protected |
gint_g_ | LR::ESolver_LR< T, TR > | protected |
gint_info_ | LR::ESolver_LR< T, TR > | protected |
gint_k_ | LR::ESolver_LR< T, TR > | protected |
gt_ | LR::ESolver_LR< T, TR > | protected |
init_pot(const Charge &chg_gs) | LR::ESolver_LR< T, TR > | protected |
input | LR::ESolver_LR< T, TR > | protected |
iter_finish(UnitCell &ucell, const int istep, int &iter, bool &conv_esolver) | ModuleESolver::ESolver_FP | protectedvirtual |
iter_time | ModuleESolver::ESolver_FP | protected |
kv | ModuleESolver::ESolver_FP | protected |
locpp | ModuleESolver::ESolver_FP | protected |
nbands | LR::ESolver_LR< T, TR > | protected |
nbasis | LR::ESolver_LR< T, TR > | protected |
nk | LR::ESolver_LR< T, TR > | protected |
nloc_per_band | LR::ESolver_LR< T, TR > | protected |
nocc | LR::ESolver_LR< T, TR > | protected |
nocc_in | LR::ESolver_LR< T, TR > | protected |
nocc_max | LR::ESolver_LR< T, TR > | protected |
npairs | LR::ESolver_LR< T, TR > | protected |
nspin | LR::ESolver_LR< T, TR > | protected |
nstates | LR::ESolver_LR< T, TR > | protected |
nupdown | LR::ESolver_LR< T, TR > | protected |
nvirt | LR::ESolver_LR< T, TR > | protected |
nvirt_in | LR::ESolver_LR< T, TR > | protected |
openshell | LR::ESolver_LR< T, TR > | protected |
orb_cutoff_ | LR::ESolver_LR< T, TR > | protected |
others(UnitCell &ucell, const int istep) | ModuleESolver::ESolver | inlinevirtual |
paraC_ | LR::ESolver_LR< T, TR > | protected |
paraMat_ | LR::ESolver_LR< T, TR > | protected |
parameter_check() const | LR::ESolver_LR< T, TR > | protected |
paraX_ | LR::ESolver_LR< T, TR > | protected |
pelec | ModuleESolver::ESolver_FP | protected |
Pgrid | ModuleESolver::ESolver_FP | protected |
pot | LR::ESolver_LR< T, TR > | protected |
psi_ks | LR::ESolver_LR< T, TR > | protected |
pw_big | ModuleESolver::ESolver_FP | protected |
pw_rho | ModuleESolver::ESolver_FP | protected |
pw_rho_flag | ModuleESolver::ESolver_FP | protected |
pw_rhod | ModuleESolver::ESolver_FP | protected |
read_ks_chg(Charge &chg) | LR::ESolver_LR< T, TR > | protected |
read_ks_wfc() | LR::ESolver_LR< T, TR > | protected |
reset_dim_spin2() | LR::ESolver_LR< T, TR > | protected |
runner(UnitCell &ucell, int istep) override | LR::ESolver_LR< T, TR > | virtual |
set_dimension() | LR::ESolver_LR< T, TR > | protected |
set_gint() | LR::ESolver_LR< T, TR > | protected |
set_gint() | LR::ESolver_LR< T, TR > | protected |
set_gint() | LR::ESolver_LR< T, TR > | protected |
set_X_initial_guess() | LR::ESolver_LR< T, TR > | protected |
setup_eigenvectors_X() | LR::ESolver_LR< T, TR > | protected |
sf | ModuleESolver::ESolver_FP | protected |
solvent | ModuleESolver::ESolver_FP | protected |
two_center_bundle_ | LR::ESolver_LR< T, TR > | protected |
ucell | LR::ESolver_LR< T, TR > | protected |
X | LR::ESolver_LR< T, TR > | protected |
xc_kernel | LR::ESolver_LR< T, TR > | protected |
~ESolver() | ModuleESolver::ESolver | inlinevirtual |
~ESolver_FP() | ModuleESolver::ESolver_FP | virtual |
~ESolver_LR() | LR::ESolver_LR< T, TR > | inline |