Merge pull request #11 from njzjz/njzjz-patch-1

fix #10
tongzhugroup · Jan 16, 2019 · e2c02ab · e2c02ab
2 parents 25f7f1d + 493a832
commit e2c02ab
Showing 1 changed file with 1 addition and 2 deletions.
diff --git a/AIMDFragmentation/frag.py b/AIMDFragmentation/frag.py
@@ -185,8 +185,7 @@ def _readforce(self, mols):
             forces *= self.unit
             energy = qm_energy * self.energyunit
             return forces, energy, mols
-        else:
-            return None, None, mols
+        return None, None, mols
 
     @property
     def fold(self):