add TITLE for after_all_runners

Author: mohanchen

source/source_esolver/esolver_dp.cpp

@@ -148,6 +148,7 @@ void ESolver_DP::cal_stress(UnitCell& ucell, ModuleBase::matrix& stress)
 
 void ESolver_DP::after_all_runners(UnitCell& ucell)
 {
+    ModuleBase::TITLE("ESolver_DP", "after_all_runners");
     GlobalV::ofs_running << "\n --------------------------------------------" << std::endl;
     GlobalV::ofs_running << std::setprecision(16);
     GlobalV::ofs_running << " !FINAL_ETOT_IS " << dp_potential * ModuleBase::Ry_to_eV << " eV" << std::endl;

source/source_esolver/esolver_fp.cpp

@@ -30,8 +30,6 @@ ESolver_FP::~ESolver_FP()
 	//****************************************************
 	// do not add any codes in this deconstructor funcion
 	//****************************************************
-    // mohan add 20251005
-    pw::teardown_pwrho(this->pw_rho_flag, PARAM.globalv.double_grid, this->pw_rho, this->pw_rhod);
 
 	delete this->pelec;
 }
@@ -257,12 +255,15 @@ void ESolver_FP::iter_finish(UnitCell& ucell, const int istep, int& iter, bool&
 
 void ESolver_FP::after_all_runners(UnitCell& ucell)
 {
+    ModuleBase::TITLE("ESolver_FP", "after_all_runners");
     // print out the final total energy
     GlobalV::ofs_running << "\n --------------------------------------------" << std::endl;
     GlobalV::ofs_running << std::setprecision(16);
     GlobalV::ofs_running << " !FINAL_ETOT_IS " << this->pelec->f_en.etot * ModuleBase::Ry_to_eV << " eV" << std::endl;
     GlobalV::ofs_running << " --------------------------------------------\n\n" << std::endl;
 
+    // mohan add 20251005, delete pw_rho and pw_rhod, ensure following functions will not use these
+    pw::teardown_pwrho(this->pw_rho_flag, PARAM.globalv.double_grid, this->pw_rho, this->pw_rhod);
 }
 
 } // namespace ModuleESolver

source/source_esolver/esolver_ks.cpp

@@ -606,6 +606,7 @@ void ESolver_KS<T, Device>::after_scf(UnitCell& ucell, const int istep, const bo
 template <typename T, typename Device>
 void ESolver_KS<T, Device>::after_all_runners(UnitCell& ucell)
 {
+    ModuleBase::TITLE("ESolver_KS", "after_all_runners");
     //! Ensure the function of base class is called last 
     ESolver_FP::after_all_runners(ucell);
 }

source/source_esolver/esolver_ks_lcao.cpp

@@ -410,7 +410,6 @@ void ESolver_KS_LCAO<TK, TR>::after_all_runners(UnitCell& ucell)
     ModuleBase::TITLE("ESolver_KS_LCAO", "after_all_runners");
     ModuleBase::timer::tick("ESolver_KS_LCAO", "after_all_runners");
 
-
     const int nspin0 = (PARAM.inp.nspin == 2) ? 2 : 1;
 
     // 1) write projected band structure

source/source_esolver/esolver_ks_pw.cpp

@@ -530,6 +530,7 @@ void ESolver_KS_PW<T, Device>::cal_stress(UnitCell& ucell, ModuleBase::matrix& s
 template <typename T, typename Device>
 void ESolver_KS_PW<T, Device>::after_all_runners(UnitCell& ucell)
 {
+    ModuleBase::TITLE("ESolver_KS_PW", "after_all_runners");
 
     ModuleIO::ctrl_runner_pw<T, Device>(ucell, this->pelec, this->pw_wfc, 
             this->pw_rho, this->pw_rhod, this->chr, this->kv, this->psi,

source/source_esolver/esolver_lj.cpp

@@ -120,6 +120,7 @@ void ESolver_LJ::runner(UnitCell& ucell, const int istep)
 
     void ESolver_LJ::after_all_runners(UnitCell& ucell)
     {
+        ModuleBase::TITLE("ESolver_LJ", "after_all_runners");
         GlobalV::ofs_running << "\n --------------------------------------------" << std::endl;
         GlobalV::ofs_running << std::setprecision(16);
         GlobalV::ofs_running << " !FINAL_ETOT_IS " << lj_potential * ModuleBase::Ry_to_eV << " eV" << std::endl;

source/source_esolver/esolver_of.cpp

@@ -540,6 +540,8 @@ void ESolver_OF::after_opt(const int istep, UnitCell& ucell, const bool conv_eso
  */
 void ESolver_OF::after_all_runners(UnitCell& ucell)
 {
+    ModuleBase::TITLE("ESolver_OF", "after_all_runners");
+
     //! Ensure the function of base class is called last 
     ESolver_FP::after_all_runners(ucell);
 }

source/source_esolver/esolver_sdft_pw.cpp

@@ -259,6 +259,8 @@ void ESolver_SDFT_PW<T, Device>::cal_stress(UnitCell& ucell, ModuleBase::matrix&
 template <typename T, typename Device>
 void ESolver_SDFT_PW<T, Device>::after_all_runners(UnitCell& ucell)
 {
+    ModuleBase::TITLE("ESolver_SDFT_PW", "after_all_runners");
+
     // release memory
     if (this->method_sto == 2)
     {