v0.12.0
What's Changed
💥 Breaking Changes
🎉 New Features
element_pair_rdfs
plots radial distribution functions (RDFs) for element pairs in a structure by @janosh in #203- Add
structure_2d_plotly
topymatviz/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 inelement_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
toptable_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 allowingannotate_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
- ruff fixes by @DanielYang59 in #196
🚧 CI
🏥 Package Health
- (Not) Exclude
tests
from source distribution, and drop python2 tag for wheel by @DanielYang59 in #202 - pin kaleido==0.2.1 by @theochemtheo in #217
🧹 Linting
- Clean up var names in unit tests, avoid MP API access in GitHub workflow by @DanielYang59 in #207
New Contributors
- @theochemtheo made their first contribution in #217
- @minhsueh made their first contribution in #210
Full Changelog: v0.11.0...v0.12.0