delete nl before new

Signed-off-by: Jinzhe Zeng <[email protected]>
deepmodeling · Feb 3, 2024 · da55888 · da55888
1 parent 2904c7c
commit da55888
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/source/api_c/include/deepmd.hpp b/source/api_c/include/deepmd.hpp
@@ -557,6 +557,8 @@ void inline convert_nlist(InputNlist &to_nlist,
     to_nlist.numneigh[ii] = from_nlist[ii].size();
     to_nlist.firstneigh[ii] = &from_nlist[ii][0];
   }
+  // delete the original nl
+  DP_DeleteNlist(to_nlist.nl);
   to_nlist.nl = DP_NewNlist(to_nlist.inum, to_nlist.ilist, to_nlist.numneigh,
                             to_nlist.firstneigh);
 }