From 4ccbb9ff6efdb291fbd4442e2904239dc165e3b6 Mon Sep 17 00:00:00 2001 From: Christopher Woods Date: Tue, 2 Jan 2024 11:49:30 +0000 Subject: [PATCH] Updated the changelog for the 2023.5.1 release [ci skip] --- doc/source/changelog.rst | 15 +++++++++------ 1 file changed, 9 insertions(+), 6 deletions(-) diff --git a/doc/source/changelog.rst b/doc/source/changelog.rst index 38d124331..5b3473017 100644 --- a/doc/source/changelog.rst +++ b/doc/source/changelog.rst @@ -15,19 +15,22 @@ organisation on `GitHub `__. `2024.1.0 `__ - March 2024 ------------------------------------------------------------------------------------------ -* Added a `.dynamics().step(num_steps)` function to make it easier to quickly run - steps of OpenMM dynamics with minimal overhead (this directly called Integrator.step()) +* Please add an item to this changelog when you create your PR + +`2023.5.1 `__ - January 2024 +-------------------------------------------------------------------------------------------- -* Some optimisations to the OpenMM layer that make full use of the +* Added a ``.dynamics().step(num_steps)`` function to make it easier to quickly run + steps of OpenMM dynamics with minimal overhead (this directly called ``Integrator.step()``) + +* Some optimisations to the OpenMM layer that make full use of the experimental "updateSomeParametersInContext" functions. -* Updated gemmi to 0.6.4, so that it can be default-enabled on all supported platforms. +* Updated gemmi to 0.6.4, so that it can be default-enabled on all supported platforms. As part of this, had to change the version of the compilers used on Windows and Linux to make the conda packages. Windows now uses Visual Studio 2022 instead of 2017, and Linux now uses GCC 12.3.0 instead of GCC 13. -* Please add an item to this changelog when you create your PR - `2023.5.0 `__ - December 2023 ---------------------------------------------------------------------------------------------