move teardown to deconstructor of ESolver

mohanchen · mohanchen · commit 266555cc4c83 · 2025-10-05T11:06:15.000+08:00
diff --git a/source/source_esolver/esolver_ks_pw.cpp b/source/source_esolver/esolver_ks_pw.cpp
@@ -53,6 +53,8 @@ ESolver_KS_PW<T, Device>::~ESolver_KS_PW()
     // delete Hamilt
     this->deallocate_hamilt();
 
+    elecstate::teardown_estate_pw<T, Device>(this->pelec, this->vsep_cell);
+
     if (PARAM.inp.device == "gpu" || PARAM.inp.precision == "single")
     {
         delete this->kspw_psi;
@@ -542,7 +544,6 @@ void ESolver_KS_PW<T, Device>::after_all_runners(UnitCell& ucell)
             this->kspw_psi, this->__kspw_psi, this->sf, 
             this->ppcell, this->solvent, this->ctx, this->Pgrid, PARAM.inp); 
     
-    elecstate::teardown_estate_pw<T, Device>(this->pelec, this->vsep_cell);
 }
 
 template class ESolver_KS_PW<std::complex<float>, base_device::DEVICE_CPU>;

Original file line number	Diff line number	Diff line change
`@@ -53,6 +53,8 @@ ESolver_KS_PW<T, Device>::~ESolver_KS_PW()`
`53`	`53`	`// delete Hamilt`
`54`	`54`	`this->deallocate_hamilt();`
`55`	`55`
	`56`	`+ elecstate::teardown_estate_pw<T, Device>(this->pelec, this->vsep_cell);`
	`57`	`+`
`56`	`58`	`if (PARAM.inp.device == "gpu" \|\| PARAM.inp.precision == "single")`
`57`	`59`	`{`
`58`	`60`	`delete this->kspw_psi;`
`@@ -542,7 +544,6 @@ void ESolver_KS_PW<T, Device>::after_all_runners(UnitCell& ucell)`
`542`	`544`	`this->kspw_psi, this->__kspw_psi, this->sf,`
`543`	`545`	`this->ppcell, this->solvent, this->ctx, this->Pgrid, PARAM.inp);`
`544`	`546`
`545`		`- elecstate::teardown_estate_pw<T, Device>(this->pelec, this->vsep_cell);`
`546`	`547`	`}`
`547`	`548`
`548`	`549`	`template class ESolver_KS_PW<std::complex<float>, base_device::DEVICE_CPU>;`