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0.8.0 Virtual Sites and Bond Interpolation

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@j-wags j-wags released this 23 Oct 15:09
0.8.0
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0.8.0 Virtual Sites and Bond Interpolation

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For the complete release notes, please see our documentation

This release adds our largest feature yet, SMARTS-based creation of VirtualSites (also known as off-center charges), as well as functionality to handle bond parameter interpolation based on partial bond orders.

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.

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