fix bug

mohanchen · mohanchen · commit 396b37907917 · 2025-09-06T14:32:06.000+08:00
diff --git a/source/source_hamilt/module_xc/xc_functional_libxc_tools.cpp b/source/source_hamilt/module_xc/xc_functional_libxc_tools.cpp
@@ -193,7 +193,7 @@ std::pair<double,ModuleBase::matrix> XC_Functional_Libxc::convert_vtxc_v(
 	const double tpiba,
 	const Charge* const chr)
 {
-    assert(nrxx>0);
+    // assert(nrxx>0); // will cause error
 	double vtxc = 0.0;
 	ModuleBase::matrix v(nspin, nrxx);
 

Original file line number	Diff line number	Diff line change
`@@ -193,7 +193,7 @@ std::pair<double,ModuleBase::matrix> XC_Functional_Libxc::convert_vtxc_v(`
`193`	`193`	`const double tpiba,`
`194`	`194`	`const Charge* const chr)`
`195`	`195`	`{`
`196`		`- assert(nrxx>0);`
	`196`	`+ // assert(nrxx>0); // will cause error`
`197`	`197`	`double vtxc = 0.0;`
`198`	`198`	`ModuleBase::matrix v(nspin, nrxx);`
`199`	`199`