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0.4.7

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@mattwthompson mattwthompson released this 16 Oct 19:34
· 36 commits to main since this release

This release fixes a bug in which virtual sites were not considered in preparing system subsets for gradient calculations.

See our installation instructions to get started and the change log for a summary of changes included in this release. Auto-generated release notes are included below.

Please note that this is a pre-alpha release and there will still be major changes to the API prior to a stable 1.0.0 release.

What's Changed

  • Add AmoebaMultipoleForce to disable_pbc by @aehogan in #533
  • Include VirtualSiteHandler and dependencies in gradient subset by @mattwthompson in #534

Full Changelog: v0.4.6...v0.4.7