Update hsolver_lcao.cpp

ZhouXY-PKU · web-flow · commit c010f37ebc55 · 2025-11-07T11:32:28.000+08:00
diff --git a/source/source_hsolver/hsolver_lcao.cpp b/source/source_hsolver/hsolver_lcao.cpp
@@ -124,7 +124,7 @@ void HSolverLCAO<TK, Device>::solve(hamilt::Hamilt<TK>* pHamilt,
         auto _pes = dynamic_cast<elecstate::ElecStateLCAO<TK>*>(pes);
         pes->f_en.eband = pe.totalFreeEnergy;
         // maybe eferm could be dealt with in the future
-        _pes->dm2rho(pe.DM, pe.EDM, dm);
+        _pes->dm2rho(pe.DM, pe.EDM, &dm);
 #endif
     }
 

Original file line number	Diff line number	Diff line change
`@@ -124,7 +124,7 @@ void HSolverLCAO<TK, Device>::solve(hamilt::Hamilt<TK>* pHamilt,`
`124`	`124`	`auto _pes = dynamic_cast<elecstate::ElecStateLCAO<TK>*>(pes);`
`125`	`125`	`pes->f_en.eband = pe.totalFreeEnergy;`
`126`	`126`	`// maybe eferm could be dealt with in the future`
`127`		`- _pes->dm2rho(pe.DM, pe.EDM, dm);`
	`127`	`+ _pes->dm2rho(pe.DM, pe.EDM, &dm);`
`128`	`128`	`#endif`
`129`	`129`	`}`
`130`	`130`