add teardown function in setup_pwrho

Author: mohanchen

source/source_esolver/esolver_fp.cpp

@@ -27,15 +27,6 @@ ESolver_FP::ESolver_FP()
 
 ESolver_FP::~ESolver_FP()
 {
-    if (pw_rho_flag == true)
-    {
-        delete this->pw_rho;
-        this->pw_rho_flag = false;
-    }
-    if (PARAM.globalv.double_grid)
-    {
-        delete this->pw_rhod;
-    }
     delete this->pelec;
 }
 
@@ -265,6 +256,9 @@ void ESolver_FP::after_all_runners(UnitCell& ucell)
     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
+    pw::teardown_pwrho(this->pw_rho_flag, PARAM.globalv.double_grid, this->pw_rho, this->pw_rhod);
 }
 
 } // namespace ModuleESolver

source/source_pw/module_pwdft/setup_pwrho.cpp

@@ -117,3 +117,23 @@ void pw::setup_pwrho(
     return;
 }
 
+
+void pw::teardown_pwrho(bool &pw_rho_flag,
+		const bool double_grid,
+		ModulePW::PW_Basis* &pw_rho, // pw for rhod
+		ModulePW::PW_Basis* &pw_rhod) // pw for rhod
+{
+    if (pw_rho_flag == true)
+    {
+        delete pw_rho;
+        pw_rho_flag = false;
+    }
+
+    if (double_grid)
+    {
+        delete pw_rhod;
+    }
+
+   return;
+}
+

source/source_pw/module_pwdft/setup_pwrho.h

@@ -20,6 +20,12 @@ void setup_pwrho(
 		const std::string &classname,
 		const Input_para& inp); // input parameters *
 
+
+void teardown_pwrho(bool &pw_rho_flag,
+		const bool double_grid,
+		ModulePW::PW_Basis* &pw_rho, // pw for rhod
+		ModulePW::PW_Basis* &pw_rhod); // pw for rhod
+
 }