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reciprocalspaceship 0.10.3
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@JBGreisman JBGreisman released this 29 Sep 17:52
· 192 commits to main since this release
v0.10.3
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What's Changed

  • Updated functionality for add_rfree and copy_rfree by @dennisbrookner in #170
  • Handle symmetry ops that produce fractional HKLs in apply_to_hkl() by @JBGreisman in #171
  • Add is_polar() utility for classifying polar space groups by @JBGreisman in #176
  • Add rs.utils.polar_axes() for classifying which cell axes permit continuous origin shifts by @JBGreisman in #177
  • Add is_polar() and polar_axes() to utility functions docs by @JBGreisman in #178
  • Update dependency pandas to >=1.2.0, <=1.4.4 by @renovate in #180
  • Add sample_rate and dmin arguments to DataSet.to_reciprocalgrid() by @JBGreisman in #179
  • [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #181
  • DataSet.to_numpy() should use numpy dtypes whenever possible by @JBGreisman in #182
  • Add DataSet.reindexing_ops and DataSet.find_twin_laws() by @JBGreisman in #183
  • Update dependency gemmi to >=0.5.5, <=0.5.7 by @renovate in #186

Full Changelog: v0.10.2...v0.10.3

Contributors

renovate, JBGreisman, and 2 other contributors
Assets 2
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