update estate

mohanchen · mohanchen · commit 1465b2b876fc · 2025-10-07T17:45:37.000+08:00
diff --git a/source/source_io/ctrl_iter_lcao.cpp b/source/source_io/ctrl_iter_lcao.cpp
@@ -72,7 +72,7 @@ void ctrl_iter_lcao(UnitCell& ucell, // unit cell *
 
             deepks_interface.out_deepks_labels(pelec->f_en.etot, kv.get_nks(),
               ucell.nat, PARAM.globalv.nlocal, pelec->ekb, kv.kvec_d,
-              ucell, orb, gd, &pv, *psi, estate->get_DM(),
+              ucell, orb, gd, &pv, *psi, pelec->get_DM(),
               p_hamilt, iter, conv_esolver, GlobalV::MY_RANK, GlobalV::ofs_running);
         }
     }

Original file line number	Diff line number	Diff line change
`@@ -72,7 +72,7 @@ void ctrl_iter_lcao(UnitCell& ucell, // unit cell *`
`72`	`72`
`73`	`73`	`deepks_interface.out_deepks_labels(pelec->f_en.etot, kv.get_nks(),`
`74`	`74`	`ucell.nat, PARAM.globalv.nlocal, pelec->ekb, kv.kvec_d,`
`75`		`- ucell, orb, gd, &pv, *psi, estate->get_DM(),`
	`75`	`+ ucell, orb, gd, &pv, *psi, pelec->get_DM(),`
`76`	`76`	`p_hamilt, iter, conv_esolver, GlobalV::MY_RANK, GlobalV::ofs_running);`
`77`	`77`	`}`
`78`	`78`	`}`