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4 changes: 4 additions & 0 deletions docs/src/engines/ase.rst
Original file line number Diff line number Diff line change
Expand Up @@ -23,6 +23,10 @@ Supported model outputs
:py:meth:`ase.Atoms.get_forces`, …);
- arbitrary outputs can be computed for any :py:class:`ase.Atoms` using
:py:meth:`MetatomicCalculator.run_model`;
- for non-equivariant architectures like
`PET <https://docs.metatensor.org/metatrain/latest/architectures/pet.html>`_,
rotatonally-averaged energies, forces, and stresses can be computed using
:py:class:`metatomic.torch.ase_calculator.SymmetrizedCalculator`.

How to install the code
^^^^^^^^^^^^^^^^^^^^^^^
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4 changes: 4 additions & 0 deletions docs/src/torch/reference/ase.rst
Original file line number Diff line number Diff line change
Expand Up @@ -17,3 +17,7 @@ not just the energy, through the
.. autoclass:: metatomic.torch.ase_calculator.MetatomicCalculator
:show-inheritance:
:members:

.. autoclass:: metatomic.torch.ase_calculator.SymmetrizedCalculator
:show-inheritance:
:members:
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