From a127e4f49c2b7ed87705556cbc4246f6b53ab75b Mon Sep 17 00:00:00 2001 From: "Matthew W. Thompson" Date: Wed, 26 Feb 2025 09:23:29 -0600 Subject: [PATCH] DOC: Finalize 0.4.2 release notes --- docs/releasehistory.md | 23 +++++++++++++++++++++-- 1 file changed, 21 insertions(+), 2 deletions(-) diff --git a/docs/releasehistory.md b/docs/releasehistory.md index ded27e3d..61802fd8 100644 --- a/docs/releasehistory.md +++ b/docs/releasehistory.md @@ -11,17 +11,36 @@ Dates are given in YYYY-MM-DD format. Please note that all releases prior to a version 1.0.0 are considered pre-releases and many API changes will come before a stable release. -## Current development +## 0.4.2 - 2025-02-26 + +### Behavior changes + +* #1153 Changes the electrostatics 1-4 scaling factor of 0.833333 to 0.8333333333 when `Interchange.combine` would otherwise fail. + +### New features + +* #1120 Read GROMACS topology files split into `.itp` files. + +### Performance improvements + +* #1126 Fixes some charge caching issues that slowed GROMACS exports. + +### Documentation improvements + +* #1163 Fixes some Packmol wrapper docstrings. +* #1159 Documents why `tolerance` is removed from box edges in the Packmol wrappers. +* #1155 Documents an edge case with `Interchange.combine` when isomorphic molecules are present with different partial charges. ### Miscellaneous improvements * #1140 Bumps internal tests to use OpenMM 8.2. +* #1150 Updates which examples are tagged as "experimental." ## 0.4.1 - 2025-01-22 ### Behavior changes -* #1132 Methods that return an `openmm.System` object now include a `openmm.CMMotionRemover` "force" within it. +* #1133 Methods that return an `openmm.System` object now include a `openmm.CMMotionRemover` "force" within it. ### New features