0.10.0 Improvements for force field fitting

0.10.0 Improvements for force field fitting

For the complete release notes, please see our documentation

This release does not have a single major new feature, but instead encompasses several small new methods and behavior changes. These changes should be clear improvements, but they will modify the formats of some outputs (like removing the header line when RDKitToolkitWrapper writes to a SMILES file) and will slightly change some numerical values (by, for example, correcting for partial charge rounding errors). Please read the release notes for a full summary of these.

For help getting the OpenFF Toolkit running, see our installation instructions.

Please report bugs, request features, or ask questions through our issue tracker.

Please note that there may still be some changes to the API prior to a stable 1.0.0 release.