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v0.12.0

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@janosh janosh released this 07 Oct 20:08
· 8 commits to main since this release

What's Changed

💥 Breaking Changes

  • Add kwarg use_tooltips: bool = True to df_to_html (prev df_to_html_table) by @janosh in #205

🎉 New Features

  • element_pair_rdfs plots radial distribution functions (RDFs) for element pairs in a structure by @janosh in #203
  • Add structure_2d_plotly to pymatviz/structure_viz.py by @janosh in #213
  • Add structure_3d_plotly by @janosh in #214

🛠 Enhancements

  • Add IS_IPYTHON global by @janosh in #198
  • Support list/dict of structures in element_pair_rdfs by @janosh in #206
  • Render spheres with hover tooltip on unit cell corners in pmv.structure_(2|3)d_plotly by @janosh in #219
  • Add add_annotation functionality for ptable plotters by @DanielYang59 in #200
  • Support plotting site vectors like forces/magmoms in structure_(2|3)d_plotly by @janosh in #220
  • Add scale: float = 1 to ptable_heatmap_plotly by @minhsueh in #210
  • Vertically/horizontally stacked XRD plots by @janosh in #223

🐛 Bug Fixes

  • Fix calculate_rdf not accounting for periodic boundaries by @janosh in #211
  • Fix xrd_pattern not allowing annotate_peaks=0 to disable peak annotation by @janosh in #212
  • structure_(2|3)d_plotly allow overriding subplot title's y position and anchor by @janosh in #218

🧹 House-Keeping

🚧 CI

🏥 Package Health

🧹 Linting

  • Clean up var names in unit tests, avoid MP API access in GitHub workflow by @DanielYang59 in #207

New Contributors

Full Changelog: v0.11.0...v0.12.0