Added extra messages to UIatoms class for debugging GH action

epfl-theos · Oct 11, 2024 · 6194798 · 6194798
1 parent 9553fcf
commit 6194798
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/src/koopmans/processes/ui/_atoms.py b/src/koopmans/processes/ui/_atoms.py
@@ -96,6 +96,7 @@ def __eq__(self, other):
             return False
         if (a['positions'] != b['positions']).any():
             utils.warn('Atoms have different positions')
+            utils.warn(f'{a["positions"]}\n{b["positions"]}')
             return False
         if not (self.cell == other.cell).all():
             utils.warn('Atoms have different cells')