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vesin v0.5.8

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@github-actions github-actions released this 26 May 17:13
v0.5.8
3b71ca1

This is a bugfix release of vesin, fixing multiple issues that affect boxes in non-standard orientations.

  • Fixed a bug that skipped pairs when handling non-periodic dimensions with all points coordinates being negative
  • Fixed a bug in CUDA when dealing with rotated orthorhombic boxes
  • Fixed missing pairs when using rotated boxes with some periodic dimensions some non-periodic dimensions
Assets 14
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