From e25697981cb4d6ef481981c09dc5085d30cf3133 Mon Sep 17 00:00:00 2001 From: Alyssa Travitz Date: Mon, 2 Feb 2026 08:37:14 -0800 Subject: [PATCH 1/2] manually add absolute settings news item to changelog --- docs/CHANGELOG.rst | 1 + news/absolute_settings.rst | 27 --------------------------- 2 files changed, 1 insertion(+), 27 deletions(-) delete mode 100644 news/absolute_settings.rst diff --git a/docs/CHANGELOG.rst b/docs/CHANGELOG.rst index 7b262e8d0..35bd8ff45 100644 --- a/docs/CHANGELOG.rst +++ b/docs/CHANGELOG.rst @@ -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 `_, fixes `Issue #1499 `_). * Disable JAX acceleration by default, see https://docs.openfree.energy/en/latest/guide/troubleshooting.html#pymbar-disable-jax for more information (`PR #1694 `_). +* 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. **Changed:** diff --git a/news/absolute_settings.rst b/news/absolute_settings.rst deleted file mode 100644 index dc4d715c1..000000000 --- a/news/absolute_settings.rst +++ /dev/null @@ -1,27 +0,0 @@ -**Added:** - -* 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. - -**Changed:** - -* - -**Deprecated:** - -* - -**Removed:** - -* - -**Fixed:** - -* - -**Security:** - -* From ce599c3fb22ce9931ae1879680b89799101e5f6e Mon Sep 17 00:00:00 2001 From: Alyssa Travitz Date: Mon, 2 Feb 2026 08:41:06 -0800 Subject: [PATCH 2/2] add link --- docs/CHANGELOG.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/CHANGELOG.rst b/docs/CHANGELOG.rst index 35bd8ff45..6b3ce9778 100644 --- a/docs/CHANGELOG.rst +++ b/docs/CHANGELOG.rst @@ -14,7 +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 `_, fixes `Issue #1499 `_). * Disable JAX acceleration by default, see https://docs.openfree.energy/en/latest/guide/troubleshooting.html#pymbar-disable-jax for more information (`PR #1694 `_). -* 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. +* 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 `_). **Changed:**