after_all_runners(UnitCell &ucell) override | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | virtual |
after_scf(UnitCell &ucell, const int istep, const bool conv_esolver) override | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protectedvirtual |
basisname | ModuleESolver::ESolver_KS< T, Device > | protected |
before_all_runners(UnitCell &ucell, const Input_para &inp) override | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | virtual |
before_scf(UnitCell &ucell, const int istep) override | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protectedvirtual |
cal_energy() override | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | virtual |
cal_force(UnitCell &ucell, ModuleBase::matrix &force) override | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | virtual |
cal_stress(UnitCell &ucell, ModuleBase::matrix &stress) override | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | virtual |
CE | ModuleESolver::ESolver_FP | protected |
chr | ModuleESolver::ESolver_FP | protected |
classname | ModuleESolver::ESolver | |
conv_esolver | ModuleESolver::ESolver | |
diag_ethr | ModuleESolver::ESolver_KS< T, Device > | protected |
drho | ModuleESolver::ESolver_KS< T, Device > | protected |
ESolver() | ModuleESolver::ESolver | inline |
ESolver_FP() | ModuleESolver::ESolver_FP | |
ESolver_KS() | ModuleESolver::ESolver_KS< T, Device > | |
ESolver_KS_LCAO() | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | |
ESolver_KS_LCAO_TDDFT() | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | |
esolver_KS_ne | ModuleESolver::ESolver_KS< T, Device > | protected |
gd | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
GG | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
gint_info_ | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
GK | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
GridT | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
hamilt2rho(UnitCell &ucell, const int istep, const int iter, const double ethr) | ModuleESolver::ESolver_KS< T, Device > | protected |
hamilt2rho_single(UnitCell &ucell, const int istep, const int iter, const double ethr) override | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protectedvirtual |
have_force | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
Hk_laststep | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protected |
hsolver_error | ModuleESolver::ESolver_KS< T, Device > | protected |
iter_finish(UnitCell &ucell, const int istep, int &iter, bool &conv_esolver) override | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protectedvirtual |
iter_init(UnitCell &ucell, const int istep, const int iter) override | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protectedvirtual |
iter_time | ModuleESolver::ESolver_FP | protected |
kv | ModuleESolver::ESolver_FP | protected |
ld | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
locpp | ModuleESolver::ESolver_FP | protected |
maxniter | ModuleESolver::ESolver_KS< T, Device > | protected |
niter | ModuleESolver::ESolver_KS< T, Device > | protected |
orb_ | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
oscillate_esolver | ModuleESolver::ESolver_KS< T, Device > | protected |
others(UnitCell &ucell, const int istep) override | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protectedvirtual |
p_chgmix | ModuleESolver::ESolver_KS< T, Device > | protected |
p_hamilt | ModuleESolver::ESolver_KS< T, Device > | protected |
pelec | ModuleESolver::ESolver_FP | protected |
Pgrid | ModuleESolver::ESolver_FP | protected |
ppcell | ModuleESolver::ESolver_KS< T, Device > | protected |
print_step() | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protected |
psi | ModuleESolver::ESolver_KS< T, Device > | protected |
psi_laststep | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protected |
pv | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, 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 |
pw_wfc | ModuleESolver::ESolver_KS< T, Device > | protected |
RA | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
rdmft_solver | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
restart_done | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protected |
runner(UnitCell &cell, const int istep) override | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protectedvirtual |
scf_ene_thr | ModuleESolver::ESolver_KS< T, Device > | protected |
scf_thr | ModuleESolver::ESolver_KS< T, Device > | protected |
scs | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
sf | ModuleESolver::ESolver_FP | protected |
Sk_laststep | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protected |
solvent | ModuleESolver::ESolver_FP | protected |
td_htype | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protected |
td_p | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protected |
totstep | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protected |
two_center_bundle_ | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | protected |
update_pot(UnitCell &ucell, const int istep, const int iter, const bool conv_esolver) override | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protectedvirtual |
use_lapack | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protected |
use_tensor | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protected |
velocity_mat | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | protected |
weight_dm_rho(const UnitCell &ucell) | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | private |
~ESolver() | ModuleESolver::ESolver | inlinevirtual |
~ESolver_FP() | ModuleESolver::ESolver_FP | virtual |
~ESolver_KS() | ModuleESolver::ESolver_KS< T, Device > | virtual |
~ESolver_KS_LCAO() | ModuleESolver::ESolver_KS_LCAO< std::complex< double >, TR > | |
~ESolver_KS_LCAO_TDDFT() | ModuleESolver::ESolver_KS_LCAO_TDDFT< TR, Device > | |