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Update docs
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ElliottKasoar committed Feb 25, 2025
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1 change: 1 addition & 0 deletions README.md
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Expand Up @@ -91,6 +91,7 @@ Current and planned features include:
- NequIP
- DPA3
- Orb
- MatterSim
- [x] Single point calculations
- [x] Geometry optimisation
- [x] Molecular Dynamics
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1 change: 1 addition & 0 deletions docs/source/getting_started/getting_started.rst
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Expand Up @@ -59,5 +59,6 @@ Currently supported extras are:
- ``nequip``: `NequIP <https://github.com/mir-group/nequip>`_
- ``dpa3``: `DPA3 <https://github.com/deepmodeling/deepmd-kit/tree/dpa3-alpha>`_
- ``orb``: `Orb <https://github.com/orbital-materials/orb-models>`_
- ``mattersim``: `MatterSim <https://github.com/microsoft/mattersim>`_

``extras`` are also listed in `pyproject.toml <https://github.com/stfc/janus-core/blob/main/pyproject.toml>`_ under ``[project.optional-dependencies]``.

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