Fix compile warning of iteration index(int) undefined behavior (deepmodeling#6874)

Cstandardlib · web-flow · commit b497e7bbe702 · 2026-01-21T10:53:30.000+08:00
diff --git a/source/source_hamilt/module_vdw/vdwd2.h b/source/source_hamilt/module_vdw/vdwd2.h
@@ -36,9 +36,9 @@ class Vdwd2 : public Vdw
         int yidx = para_.period().y / 2;
         int zidx = para_.period().z / 2;
 
-        for (int it1 = 0; it1 != ucell_.ntype; ++it1)
+        for (int it1 = 0; it1 < ucell_.ntype; ++it1)
         {
-            for (int it2 = 0; it2 != ucell_.ntype; ++it2)
+            for (int it2 = 0; it2 < ucell_.ntype; ++it2)
             {
                 const double C6_product
                     = sqrt(para_.C6().at(ucell_.atoms[it1].ncpp.psd) * para_.C6().at(ucell_.atoms[it2].ncpp.psd))

Original file line number	Diff line number	Diff line change
`@@ -36,9 +36,9 @@ class Vdwd2 : public Vdw`
`36`	`36`	`int yidx = para_.period().y / 2;`
`37`	`37`	`int zidx = para_.period().z / 2;`
`38`	`38`
`39`		`- for (int it1 = 0; it1 != ucell_.ntype; ++it1)`
	`39`	`+ for (int it1 = 0; it1 < ucell_.ntype; ++it1)`
`40`	`40`	`{`
`41`		`- for (int it2 = 0; it2 != ucell_.ntype; ++it2)`
	`41`	`+ for (int it2 = 0; it2 < ucell_.ntype; ++it2)`
`42`	`42`	`{`
`43`	`43`	`const double C6_product`
`44`	`44`	`= sqrt(para_.C6().at(ucell_.atoms[it1].ncpp.psd) * para_.C6().at(ucell_.atoms[it2].ncpp.psd))`