tweak

zadorlab · Oct 15, 2024 · 4e08ec2 · 4e08ec2
1 parent dfa71ee
commit 4e08ec2
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/pynta/coveragedependence.py b/pynta/coveragedependence.py
@@ -2129,8 +2129,8 @@ def mol_to_atoms(admol,slab,sites,metal,partial_atoms=None,partial_admol=None):
         admol_atom_order = admol.atoms[:]
         gpartial_admol_atom_order = gpartial_admol.atoms[:]
         subisos = admol.find_subgraph_isomorphisms(gpartial_admol)
-        admol.atoms = admol_atom_order[:]
-        gpartial_admol.atoms = gpartial_admol_atom_order[:]
+        admol.atoms = admol_atom_order
+        gpartial_admol.atoms = gpartial_admol_atom_order
         if len(subisos) == 0:
             raise ValueError("partial_admol is not subgraph isomorphic to admol: {0}, {1}".format(gpartial_admol.to_adjacency_list(),admol.to_adjacency_list()))
         subiso = subisos[0]