diff --git a/python/metatensor-torch/metatensor/torch/atomistic/ase_calculator.py b/python/metatensor-torch/metatensor/torch/atomistic/ase_calculator.py index 8d86e112c..c189099e6 100644 --- a/python/metatensor-torch/metatensor/torch/atomistic/ase_calculator.py +++ b/python/metatensor-torch/metatensor/torch/atomistic/ase_calculator.py @@ -536,7 +536,7 @@ def _full_3x3_to_voigt_6_stress(stress): Re-implementation of ``ase.stress.full_3x3_to_voigt_6_stress`` which does not do the stress symmetrization correctly (they do ``(stress[1, 2] + stress[1, 2]) / 2.0``) """ - return np.transpose( + return np.array( [ stress[0, 0], stress[1, 1],