[pre-commit.ci lite] apply automatic fixes

pre-commit-ci-lite[bot] · web-flow · commit a12ccf892bd1 · 2024-10-13T07:47:04.000Z
diff --git a/source/module_lr/dm_trans/dmr_complex.cpp b/source/module_lr/dm_trans/dmr_complex.cpp
@@ -42,7 +42,7 @@ namespace elecstate
                     }
 #endif
                     // loop over k-points
-                    if (PARAM.inp.nspin != 4)
+                    if (PARAM.inp.nspin != 4) {
                         for (int ik = 0; ik < this->_nk; ++ik)
                         {
                             // cal k_phase
@@ -70,9 +70,11 @@ namespace elecstate
                                 tmp_DMR_pointer += this->_paraV->get_col_size(iat2);
                             }
                         }
+}
                     // treat DMR as pauli matrix when NSPIN=4
-                    if (PARAM.inp.nspin == 4)
+                    if (PARAM.inp.nspin == 4) {
                         throw std::runtime_error("complex DM(R) with NSPIN=4 is not implemented yet");
+}
                 }
             }
         }

Original file line number	Diff line number	Diff line change
`@@ -42,7 +42,7 @@ namespace elecstate`
`42`	`42`	`}`
`43`	`43`	`#endif`
`44`	`44`	`// loop over k-points`
`45`		`- if (PARAM.inp.nspin != 4)`
	`45`	`+ if (PARAM.inp.nspin != 4) {`
`46`	`46`	`for (int ik = 0; ik < this->_nk; ++ik)`
`47`	`47`	`{`
`48`	`48`	`// cal k_phase`
`@@ -70,9 +70,11 @@ namespace elecstate`
`70`	`70`	`tmp_DMR_pointer += this->_paraV->get_col_size(iat2);`
`71`	`71`	`}`
`72`	`72`	`}`
	`73`	`+}`
`73`	`74`	`// treat DMR as pauli matrix when NSPIN=4`
`74`		`- if (PARAM.inp.nspin == 4)`
	`75`	`+ if (PARAM.inp.nspin == 4) {`
`75`	`76`	`throw std::runtime_error("complex DM(R) with NSPIN=4 is not implemented yet");`
	`77`	`+}`
`76`	`78`	`}`
`77`	`79`	`}`
`78`	`80`	`}`