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0.3.17

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@mattwthompson mattwthompson released this 03 Nov 03:35
· 734 commits to main since this release
v0.3.17
f7d71bb

0.3.17 Improved OpenMM virtual site implementation

This release reverts some previous changes away from the use of openmm.LocalCoordinatesSite, which is the only strictly proper way to handle SMIRNOFF-style virtual sites in OpenMM.

For the complete release notes, please see the release history.

For help installing Interchange, the 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.

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