diff --git a/src/schnetpack/transform/atomistic.py b/src/schnetpack/transform/atomistic.py index a13672853..cc7a09ee6 100644 --- 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