disable out_mul to prohibit segfault error (#5102)

kirk0830 · web-flow · commit 7fa03cae06ac · 2024-09-14T19:36:28.000+08:00
diff --git a/source/module_io/read_input_item_output.cpp b/source/module_io/read_input_item_output.cpp
@@ -141,6 +141,12 @@ void ReadInput::item_output()
         Input_Item item("out_mul");
         item.annotation = "mulliken charge or not";
         read_sync_bool(input.out_mul);
+        item.check_value = [](const Input_Item& item, const Parameter& para) {
+            if (para.input.basis_type == "pw" && para.input.out_mul)
+            {
+                ModuleBase::WARNING_QUIT("ReadInput", "out_mul is only for lcao");
+            }
+        };
         this->add_item(item);
     }
     {

Original file line number	Diff line number	Diff line change
`@@ -141,6 +141,12 @@ void ReadInput::item_output()`
`141`	`141`	`Input_Item item("out_mul");`
`142`	`142`	`item.annotation = "mulliken charge or not";`
`143`	`143`	`read_sync_bool(input.out_mul);`
	`144`	`+ item.check_value = [](const Input_Item& item, const Parameter& para) {`
	`145`	`+ if (para.input.basis_type == "pw" && para.input.out_mul)`
	`146`	`+ {`
	`147`	`+ ModuleBase::WARNING_QUIT("ReadInput", "out_mul is only for lcao");`
	`148`	`+ }`
	`149`	`+ };`
`144`	`150`	`this->add_item(item);`
`145`	`151`	`}`
`146`	`152`	`{`