[pre-commit.ci lite] apply automatic fixes

pre-commit-ci-lite[bot] · web-flow · commit fa188c97e380 · 2025-01-08T14:30:16.000Z
diff --git a/source/module_hamilt_lcao/module_deepks/deepks_force.cpp b/source/module_hamilt_lcao/module_deepks/deepks_force.cpp
@@ -112,7 +112,7 @@ void DeePKS_domain::cal_f_delta(const std::vector<std::vector<TK>>& dm,
 
                     hamilt::AtomPair<double> dm_pair(ibt1, ibt2, dRx, dRy, dRz, &pv);
 
-                    dm_pair.allocate(nullptr, 1);
+                    dm_pair.allocate(nullptr, true);
 
                     if constexpr (std::is_same<TK, double>::value) // for gamma-only
                     {

Original file line number	Diff line number	Diff line change
`@@ -112,7 +112,7 @@ void DeePKS_domain::cal_f_delta(const std::vector<std::vector<TK>>& dm,`
`112`	`112`
`113`	`113`	`hamilt::AtomPair<double> dm_pair(ibt1, ibt2, dRx, dRy, dRz, &pv);`
`114`	`114`
`115`		`- dm_pair.allocate(nullptr, 1);`
	`115`	`+ dm_pair.allocate(nullptr, true);`
`116`	`116`
`117`	`117`	`if constexpr (std::is_same<TK, double>::value) // for gamma-only`
`118`	`118`	`{`