fix edm

mohanchen · mohanchen · commit c4d309de4a5f · 2025-11-07T11:02:05.000+08:00
diff --git a/source/source_lcao/edm.cpp b/source/source_lcao/edm.cpp
@@ -34,7 +34,7 @@ elecstate::DensityMatrix<double, double> Force_LCAO<double>::cal_edm(const elecs
         auto pes = dynamic_cast<const elecstate::ElecStateLCAO<double>*>(pelec);
         for (int ik = 0; ik < nspin; ik++)
         {
-            edm.set_DMK_pointer(ik, pes->get_DM()->pexsi_EDM[ik]);
+            edm.set_DMK_pointer(ik, dm.pexsi_EDM[ik]);
         }
         
     }

Original file line number	Diff line number	Diff line change
`@@ -34,7 +34,7 @@ elecstate::DensityMatrix<double, double> Force_LCAO<double>::cal_edm(const elecs`
`34`	`34`	`auto pes = dynamic_cast<const elecstate::ElecStateLCAO<double>*>(pelec);`
`35`	`35`	`for (int ik = 0; ik < nspin; ik++)`
`36`	`36`	`{`
`37`		`- edm.set_DMK_pointer(ik, pes->get_DM()->pexsi_EDM[ik]);`
	`37`	`+ edm.set_DMK_pointer(ik, dm.pexsi_EDM[ik]);`
`38`	`38`	`}`
`39`	`39`
`40`	`40`	`}`