ouch... stupid mistake

kirk0830 · kirk0830 · commit fa4e5b1b58a4 · 2024-11-04T12:28:11.000+08:00
diff --git a/source/module_hamilt_general/module_vdw/vdw.cpp b/source/module_hamilt_general/module_vdw/vdw.cpp
@@ -28,12 +28,13 @@ std::unique_ptr<Vdw> make_vdw(const UnitCell &ucell,
         vdw_ptr->parameter().initial_parameters(input, plog);
         return vdw_ptr;
     }
-    else
+    else if (input.vdw_method != "none")
     {
         ModuleBase::WARNING_QUIT("ModuleHamiltGeneral::ModuleVDW::make_vdw", 
         "Unrecognized Van der Waals correction method: " + input.vdw_method);
         return nullptr;
     }
+    return nullptr; // "none" method
 }
 
 } // namespace vdw

Original file line number	Diff line number	Diff line change
`@@ -28,12 +28,13 @@ std::unique_ptr<Vdw> make_vdw(const UnitCell &ucell,`
`28`	`28`	`vdw_ptr->parameter().initial_parameters(input, plog);`
`29`	`29`	`return vdw_ptr;`
`30`	`30`	`}`
`31`		`- else`
	`31`	`+ else if (input.vdw_method != "none")`
`32`	`32`	`{`
`33`	`33`	`ModuleBase::WARNING_QUIT("ModuleHamiltGeneral::ModuleVDW::make_vdw",`
`34`	`34`	`"Unrecognized Van der Waals correction method: " + input.vdw_method);`
`35`	`35`	`return nullptr;`
`36`	`36`	`}`
	`37`	`+ return nullptr; // "none" method`
`37`	`38`	`}`
`38`	`39`
`39`	`40`	`} // namespace vdw`