Skip to content

0.1.3 Reliability and documentation improvements

Pre-release
Pre-release

Choose a tag to compare

View all tags
@mattwthompson mattwthompson released this 12 Nov 22:05
v0.1.3
88a76ef
This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.
GPG key ID: 4AEE18F83AFDEB23
Expired
Verified
Learn about vigilant mode.

0.1.3 Reliability and documentation improvements

This pre-release of OpenFF Interchange includes documentation improvements and some reliability and testing improvements.

New features

  • #317 Partially avoids parameter clashes in Interchange object combination

Documentation improvements

  • #234 Switch documentation them theme to openff-sphinx-theme
  • #309 Improves the user guide
  • #190 Adds parameter splitting example
  • #331 Restores autodoc_pydantic sphinx extension

Bugfixes

  • #332 Fixes export of multi-molecule systems to Amber files

Testing and reliability improvements

  • #324 Removes pmdtest module
  • #327 Skips unavailable drivers instead of erroring out
  • #246 Improves exports of non-bonded settings to Amber files
  • #333 Makes beta/RC tests run automatically

See the documentation for more information.

Please report bugs, request features, or ask questions via the issue tracker.

Please note that there will likely be API changes prior to a stable 1.0.0 release.

Assets 2
Loading