update esolver

Author: mohanchen

source/source_esolver/esolver_ks_lcao.cpp

@@ -87,59 +87,6 @@ void ESolver_KS_LCAO<TK, TR>::before_all_runners(UnitCell& ucell, const Input_pa
       this->pelec, this->orb_, this->pv, this->locpp, this->dftu,
       this->solvent, this->exx_nao, this->deepks, inp);
 
-/*
-    // 5) init electronic wave function psi
-    Setup_Psi<TK>::allocate_psi(this->psi, this->kv, this->pv, inp);
-
-    //! read psi from file
-    if (inp.init_wfc == "file" && inp.esolver_type != "tddft")
-    {
-        if (!ModuleIO::read_wfc_nao(PARAM.globalv.global_readin_dir,
-             this->pv, *this->psi, this->pelec->ekb, this->pelec->wg, this->kv.ik2iktot,
-             this->kv.get_nkstot(), inp.nspin))
-        {
-            ModuleBase::WARNING_QUIT("ESolver_KS_LCAO", "read electronic wave functions failed");
-        }
-    }
-
-    // 7) init DMK, but DMR is constructed in before_scf()
-    this->dmat.allocate_dm(&this->kv, &this->pv, inp.nspin);
-
-    // 8) init exact exchange calculations
-    this->exx_nao.before_runner(ucell, this->kv, this->orb_, this->pv, inp);
-
-    // 9) initialize DFT+U
-    if (inp.dft_plus_u)
-    {
-        this->dftu.init(ucell, &this->pv, this->kv.get_nks(), &orb_);
-    }
-
-    // 10) init local pseudopotentials
-    this->locpp.init_vloc(ucell, this->pw_rho);
-    ModuleBase::GlobalFunc::DONE(GlobalV::ofs_running, "LOCAL POTENTIAL");
-
-    // 11) init charge density
-    this->chr.allocate(inp.nspin);
-
-    // 12) init potentials
-    if (this->pelec->pot == nullptr)
-    {
-        this->pelec->pot = new elecstate::Potential(this->pw_rhod, this->pw_rho,
-          &ucell, &(this->locpp.vloc), &(this->sf), &(this->solvent),
-          &(this->pelec->f_en.etxc), &(this->pelec->f_en.vtxc));
-    }
-
-    // 13) init deepks
-    this->deepks.before_runner(ucell, this->kv.get_nks(), this->orb_, this->pv, inp);
-
-    // 14) set occupations, tddft does not need to set occupations in the first scf
-    if (inp.ocp && inp.esolver_type != "tddft")
-    {
-        elecstate::fixed_weights(inp.ocp_kb, inp.nbands, inp.nelec,
-          this->pelec->klist, this->pelec->wg, this->pelec->skip_weights);
-    }
-*/
-
     //! if kpar is not divisible by nks, print a warning
     ModuleIO::print_kpar(this->kv.get_nks(), PARAM.globalv.kpar_lcao);