remove useless code

Author: haozhihan

source/module_esolver/esolver_ks_pw.cpp

@@ -368,27 +368,6 @@ void ESolver_KS_PW<T, Device>::hamilt2density_single(const int istep, const int
     }
     bool skip_charge = PARAM.inp.calculation == "nscf" ? true : false;
 
-    //---------------------------------------------------------------------------------------------------------------
-    //---------------------------------for psi init guess!!!!--------------------------------------------------------
-    //---------------------------------------------------------------------------------------------------------------
-    // if (!PARAM.inp.psi_initializer && PARAM.inp.basis_type == "pw" && this->already_initpsi == false)
-    // {
-    //     for (int ik = 0; ik < this->pw_wfc->nks; ++ik)
-    //     {
-    //         //! Update Hamiltonian from other kpoint to the given one
-    //         this->p_hamilt->updateHk(ik);
-
-    //         //! Fix the wavefunction to initialize at given kpoint
-    //         this->kspw_psi->fix_k(ik);
-
-    //         /// for psi init guess!!!!
-    //         hamilt::diago_PAO_in_pw_k2(this->ctx, ik, *(this->kspw_psi), this->pw_wfc, &this->wf, this->p_hamilt);
-    //     }
-    // }
-    //---------------------------------------------------------------------------------------------------------------
-    //---------------------------------END: for psi init guess!!!!--------------------------------------------------------
-    //---------------------------------------------------------------------------------------------------------------
-
     hsolver::HSolverPW<T, Device> hsolver_pw_obj(this->pw_wfc,
                                                  PARAM.inp.calculation,
                                                  PARAM.inp.basis_type,
@@ -409,8 +388,6 @@ void ESolver_KS_PW<T, Device>::hamilt2density_single(const int istep, const int
                          GlobalV::NPROC_IN_POOL,
                          skip_charge);
 
-    // this->already_initpsi = true;
-
     Symmetry_rho srho;
     for (int is = 0; is < PARAM.inp.nspin; is++)
     {

source/module_esolver/esolver_sdft_pw.cpp

@@ -190,32 +190,6 @@ void ESolver_SDFT_PW<T, Device>::hamilt2density_single(int istep, int iter, doub
     hsolver::DiagoIterAssist<T, Device>::PW_DIAG_THR = ethr;
     hsolver::DiagoIterAssist<T, Device>::PW_DIAG_NMAX = PARAM.inp.pw_diag_nmax;
 
-    //---------------------------------------------------------------------------------------------------------------
-    //---------------------------------for psi init guess!!!!--------------------------------------------------------
-    //---------------------------------------------------------------------------------------------------------------
-    // if (!PARAM.inp.psi_initializer && PARAM.inp.basis_type == "pw" && this->already_initpsi == false)
-    // {
-    //     for (int ik = 0; ik < this->pw_wfc->nks; ++ik)
-    //     {
-    //         //! Update Hamiltonian from other kpoint to the given one
-    //         this->p_hamilt->updateHk(ik);
-
-    //         if (this->kspw_psi->get_nbands() > 0 && GlobalV::MY_STOGROUP == 0)
-    //         {
-    //             //! Fix the wavefunction to initialize at given kpoint
-    //             this->kspw_psi->fix_k(ik);
-
-    //             /// for psi init guess!!!!
-    //             hamilt::diago_PAO_in_pw_k2(this->ctx, ik, *(this->kspw_psi), this->pw_wfc, &this->wf, this->p_hamilt);
-    //         }
-
-    //     }
-    // }
-    //---------------------------------------------------------------------------------------------------------------
-    //---------------------------------END: for psi init guess!!!!--------------------------------------------------------
-    //---------------------------------------------------------------------------------------------------------------
-
-
     // hsolver only exists in this function
     hsolver::HSolverPW_SDFT<T, Device> hsolver_pw_sdft_obj(&this->kv,
                                                            this->pw_wfc,
@@ -242,7 +216,6 @@ void ESolver_SDFT_PW<T, Device>::hamilt2density_single(int istep, int iter, doub
                               istep,
                               iter,
                               skip_charge);
-    // this->already_initpsi = true;
 
     // set_diagethr need it
     this->esolver_KS_ne = hsolver_pw_sdft_obj.stoiter.KS_ne;