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Update user guide
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k-harris27 committed Feb 28, 2025
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2 changes: 1 addition & 1 deletion docs/source/user_guide/command_line.rst
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Expand Up @@ -197,7 +197,7 @@ Additional options may be specified. This shares most options with ``singlepoint

.. code-block:: bash
janus geomopt --struct tests/data/NaCl.cif --arch mace_mp --model-path small --opt-cell-lengths --traj 'NaCl-traj.extxyz'
janus geomopt --struct tests/data/NaCl.cif --arch mace_mp --model-path small --opt-cell-lengths --write-traj --traj-kwargs "{'filename':'NaCl-traj.extxyz'}"
This allows the cell vectors to be optimised, allowing only hydrostatic deformation, and saves the optimization trajectory in addition to the final structure and log.
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