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atravitz merged 2 commits into from
Feb 2, 2026
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manually add absolute settings news item to changelog #1821

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manually add absolute settings news item to changelog
atravitz Feb 2, 2026
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atravitz Feb 2, 2026
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1 change: 1 addition & 0 deletions docs/CHANGELOG.rst
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Expand Up @@ -14,6 +14,7 @@ v1.8.0
* Added experimental features ``openfe gather-septop`` and ``openfe gather-abfe``, which are analogous to ``openfe gather`` and allow for gathering results generated by the Separated Topologies and Absolute Binding Free Energy protocols, respectively. These commands are experimental and are liable to be changed in a future release.
* Emit a clarifying log message when a user gets a warning from JAX (`PR #1585 <https://github.com/OpenFreeEnergy/openfe/pull/1585>`_, fixes `Issue #1499 <https://github.com/OpenFreeEnergy/openfe/issues/1499>`_).
* Disable JAX acceleration by default, see https://docs.openfree.energy/en/latest/guide/troubleshooting.html#pymbar-disable-jax for more information (`PR #1694 <https://github.com/OpenFreeEnergy/openfe/pull/1692>`_).
* New options have been added to the ``AlchemicalSettings`` of the ``SepTopProtocol``, ``AbsoluteSolvationProtocol`` and ``AbsoluteBindingProtocol``. Notably, these options allow users to control the softcore parameters as well as the use of long range dispersion corrections (`PR #1742 <https://github.com/OpenFreeEnergy/openfe/pull/1742>`_).

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27 changes: 0 additions & 27 deletions news/absolute_settings.rst
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