small change

maki49 · maki49 · commit ca1ab07d2d25 · 2024-12-03T21:58:11.000+08:00
diff --git a/source/module_lr/potentials/xc_kernel.cpp b/source/module_lr/potentials/xc_kernel.cpp
@@ -237,7 +237,7 @@ void LR::KernelXC::f_xc_libxc(const int& nspin, const double& omega, const doubl
         const std::vector<double>& vs = this->vsigma_;
         const double tpiba2 = tpiba * tpiba;
 
-        if (1 == nspin)
+        if (nspin == 1)
         {
             // 0. drho
             this->drho_gs_ = gradrho[0];
@@ -267,7 +267,8 @@ void LR::KernelXC::f_xc_libxc(const int& nspin, const double& omega, const doubl
                 + " unfinished in " + std::string(__FILE__) + " line " + std::to_string(__LINE__));
         }
     }
-    if (1 == PARAM.inp.nspin || 2 == PARAM.inp.nspin) { return;
+    if (PARAM.inp.nspin == 1 || PARAM.inp.nspin == 2) {
+        return;
     // else if (4 == PARAM.inp.nspin)
     } else//NSPIN != 1,2,4 is not supported
     {

Original file line number	Diff line number	Diff line change
`@@ -237,7 +237,7 @@ void LR::KernelXC::f_xc_libxc(const int& nspin, const double& omega, const doubl`
`237`	`237`	`const std::vector<double>& vs = this->vsigma_;`
`238`	`238`	`const double tpiba2 = tpiba * tpiba;`
`239`	`239`
`240`		`- if (1 == nspin)`
	`240`	`+ if (nspin == 1)`
`241`	`241`	`{`
`242`	`242`	`// 0. drho`
`243`	`243`	`this->drho_gs_ = gradrho[0];`
`@@ -267,7 +267,8 @@ void LR::KernelXC::f_xc_libxc(const int& nspin, const double& omega, const doubl`
`267`	`267`	`+ " unfinished in " + std::string(__FILE__) + " line " + std::to_string(__LINE__));`
`268`	`268`	`}`
`269`	`269`	`}`
`270`		`- if (1 == PARAM.inp.nspin \|\| 2 == PARAM.inp.nspin) { return;`
	`270`	`+ if (PARAM.inp.nspin == 1 \|\| PARAM.inp.nspin == 2) {`
	`271`	`+ return;`
`271`	`272`	`// else if (4 == PARAM.inp.nspin)`
`272`	`273`	`} else//NSPIN != 1,2,4 is not supported`
`273`	`274`	`{`