Merge remote-tracking branch 'origin/general_bonds' into general_bonds

pyiron · Apr 25, 2022 · 7a1ae65 · 7a1ae65
2 parents 1691f36 + 6ffc9fc
commit 7a1ae65
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/pyiron_atomistics/lammps/structure.py b/pyiron_atomistics/lammps/structure.py
@@ -420,7 +420,9 @@ def structure_full(self):
                 cutoff_list.append(np.max(val["cutoff_list"]))
             max_cutoff = np.max(cutoff_list)
             # Calculate neighbors only once
-            neighbors = self._structure.get_neighbors_by_distance(cutoff_radius=max_cutoff)
+            neighbors = self._structure.get_neighbors_by_distance(
+                cutoff_radius=max_cutoff
+            )
             id_mol = 0
             indices = self._structure.indices
             for id_el, id_species in enumerate(indices):