Fix merge bug.

ErjieWu · ErjieWu · commit 322cec65f989 · 2025-03-04T11:48:34.000+08:00
diff --git a/source/module_hamilt_lcao/module_deepks/deepks_force.cpp b/source/module_hamilt_lcao/module_deepks/deepks_force.cpp
@@ -30,6 +30,7 @@ void DeePKS_domain::cal_f_delta(const std::vector<std::vector<TK>>& dm,
     f_delta.zero_out();
 
     const int lmaxd = orb.get_lmax_d();
+    const double Rcut_Alpha = orb.Alpha[0].getRcut();
 
 #pragma omp parallel
 {
@@ -76,8 +77,8 @@ void DeePKS_domain::cal_f_delta(const std::vector<std::vector<TK>>& dm,
                     continue;
                 }
 
-                double r0[3]{};
                 double r1[3]{};
+                double r2[3]{};
                 if (isstress)
                 {
                     r1[0] = (tau1.x - tau0.x);

Original file line number	Diff line number	Diff line change
`@@ -30,6 +30,7 @@ void DeePKS_domain::cal_f_delta(const std::vector<std::vector<TK>>& dm,`
`30`	`30`	`f_delta.zero_out();`
`31`	`31`
`32`	`32`	`const int lmaxd = orb.get_lmax_d();`
	`33`	`+ const double Rcut_Alpha = orb.Alpha[0].getRcut();`
`33`	`34`
`34`	`35`	`#pragma omp parallel`
`35`	`36`	`{`
`@@ -76,8 +77,8 @@ void DeePKS_domain::cal_f_delta(const std::vector<std::vector<TK>>& dm,`
`76`	`77`	`continue;`
`77`	`78`	`}`
`78`	`79`
`79`		`- double r0[3]{};`
`80`	`80`	`double r1[3]{};`
	`81`	`+ double r2[3]{};`
`81`	`82`	`if (isstress)`
`82`	`83`	`{`
`83`	`84`	`r1[0] = (tau1.x - tau0.x);`