diff --git a/.github/pull_request_template.md b/.github/pull_request_template.md new file mode 100644 index 000000000..5cf7da6d9 --- /dev/null +++ b/.github/pull_request_template.md @@ -0,0 +1,22 @@ +## Description + + + +## Motivation and context + + + + +Resolves #??? + +## How has this been tested? + + + +## Change log + + + +``` + +``` diff --git a/docs/changelog.rst b/docs/changelog.rst index 670b54bf5..c1adeed68 100644 --- a/docs/changelog.rst +++ b/docs/changelog.rst @@ -6,7 +6,7 @@ Release history This section lists features and improvements of note in each release. -The full release history can be viewed `at the GitHub yank releases page `_. +The full release history can be viewed `at the GitHub perses releases page `_. 0.9.1 - Bugfix release @@ -26,3 +26,11 @@ Bugfixes - (PR `#809 `_) The atom mapping facility was overhauled to address a bug in mapping rings (`#805 `_). Atom mapping is now handled via an ``AtomMapper`` factory that generates an ``AtomMapping`` class that localizes all relevant functionality. +- (PR `#824 `_) + The default timestep is now 4 fs (was 1 fs) and the minimum openMM version is now 7.5.0 +- (PR `#812 `_) + Automatically set package version by ``git tag`` using versioneer +- (PR `#804 `_) + Set the default temperature back to 300 K for ``relative_point_mutation_setup.py``. +- (PR `#796 `_) + Removed defunct ``atom_map`` argument from FEP constructor. diff --git a/docs/index.rst b/docs/index.rst index f654c1c77..f4a708db5 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -77,6 +77,8 @@ Developers * Dominic A. Rufa * Jaime Rodríguez-Guerra * Ivy Zhang +* Mike Henry +* Iván Pulido * John D. Chodera Indices and tables