Merge pull request #432 from atomistic-machine-learning/NiklasGebauer-fix-AddOffsets

mgastegger · web-flow · commit 11f94fdc8da8 · 2022-09-05T09:55:52.000+02:00
Fix error in AddOffsets
diff --git a/src/schnetpack/transform/atomistic.py b/src/schnetpack/transform/atomistic.py
@@ -227,6 +227,6 @@ def forward(
             if not self.is_extensive:
                 y0 /= inputs[structure.n_atoms]
 
-            inputs[self._property] -= y0
+            inputs[self._property] += y0
 
         return inputs
