add a value-check for scf_os_thr

WHUweiqingzhou · WHUweiqingzhou · commit ceaefdc5162b · 2024-11-06T17:15:06.000+08:00
diff --git a/source/module_io/read_input_item_elec_stru.cpp b/source/module_io/read_input_item_elec_stru.cpp
@@ -538,6 +538,12 @@ void ReadInput::item_elec_stru()
         Input_Item item("scf_os_thr");
         item.annotation = "charge density threshold for oscillation";
         read_sync_double(input.scf_os_thr);
+        item.check_value = [](const Input_Item& item, const Parameter& para) {
+            if (para.input.scf_os_thr >= 0)
+            {
+                ModuleBase::WARNING_QUIT("ReadInput", "scf_os_thr should be negative");
+            }
+        };
         this->add_item(item);
     }
     {

Original file line number	Diff line number	Diff line change
`@@ -538,6 +538,12 @@ void ReadInput::item_elec_stru()`
`538`	`538`	`Input_Item item("scf_os_thr");`
`539`	`539`	`item.annotation = "charge density threshold for oscillation";`
`540`	`540`	`read_sync_double(input.scf_os_thr);`
	`541`	`+ item.check_value = [](const Input_Item& item, const Parameter& para) {`
	`542`	`+ if (para.input.scf_os_thr >= 0)`
	`543`	`+ {`
	`544`	`+ ModuleBase::WARNING_QUIT("ReadInput", "scf_os_thr should be negative");`
	`545`	`+ }`
	`546`	`+ };`
`541`	`547`	`this->add_item(item);`
`542`	`548`	`}`
`543`	`549`	`{`