improve docstring

popelier-group · Jun 10, 2024 · 78c02c4 · 78c02c4
1 parent 2552892
commit 78c02c4
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/ichor_core/ichor/core/files/xyz/trajectory.py b/ichor_core/ichor/core/files/xyz/trajectory.py
@@ -530,6 +530,8 @@ def change_atom_ordering(self, new_traj_name: Path, new_atom_ordering: List[int]
 
         :param new_traj_name: Name of new trajectory file
         :param new_atom_ordering: A list of indices telling how to permute the current trajectory
+            The list is 0 indexed. The order of the list is the new order of the atoms.
+            e.g. rearranging atoms C1, O2, H3 to H3, C1, O2 would be [2, 0, 1]
         """
 
         if new_traj_name.suffix != ".xyz":