add init

A-006 · A-006 · commit 4c4a87a112ca · 2025-07-10T22:22:50.000+08:00
diff --git a/source/source_pw/module_pwdft/VNL_in_pw.cpp b/source/source_pw/module_pwdft/VNL_in_pw.cpp
@@ -757,9 +757,8 @@ void pseudopot_cell_vnl::init_vnl(UnitCell& cell, const ModulePW::PW_Basis* rho_
                 {   
 		            aux[ir] = cell.atoms[it].ncpp.betar(ib, ir) * jl[ir] * cell.atoms[it].ncpp.r[ir];   
                 }
-
-		double vqint;
-		ModuleBase::Integral::Simpson_Integral(kkbeta, aux, cell.atoms[it].ncpp.rab.data(), vqint);
+                double vqint=0.0;
+                ModuleBase::Integral::Simpson_Integral(kkbeta, aux, cell.atoms[it].ncpp.rab.data(), vqint);
                 this->tab(it, ib, iq) = vqint * pref;
             }
         }

Original file line number	Diff line number	Diff line change
`@@ -757,9 +757,8 @@ void pseudopot_cell_vnl::init_vnl(UnitCell& cell, const ModulePW::PW_Basis* rho_`
`757`	`757`	`{`
`758`	`758`	`aux[ir] = cell.atoms[it].ncpp.betar(ib, ir) * jl[ir] * cell.atoms[it].ncpp.r[ir];`
`759`	`759`	`}`
`760`		`-`
`761`		`- double vqint;`
`762`		`- ModuleBase::Integral::Simpson_Integral(kkbeta, aux, cell.atoms[it].ncpp.rab.data(), vqint);`
	`760`	`+ double vqint=0.0;`
	`761`	`+ ModuleBase::Integral::Simpson_Integral(kkbeta, aux, cell.atoms[it].ncpp.rab.data(), vqint);`
`763`	`762`	`this->tab(it, ib, iq) = vqint * pref;`
`764`	`763`	`}`
`765`	`764`	`}`