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glotzerlab / parsnip Public

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Add example for setting Wyckoff sites#124

Draft

janbridley wants to merge 48 commits intomainglotzerlab/parsnip:mainfrom

feat/set_basisglotzerlab/parsnip:feat/set_basisCopy head branch name to clipboard

Conversation Commits48 (48)Checks Files changed

Draft

Add example for setting Wyckoff sites#124
janbridley wants to merge 48 commits intomainfrom
feat/set_basis

Commits

Commits on Dec 8, 2025

Update documentation for the relationship between CIF grammar and the parser backend
janbridley
committed
Fix string format
janbridley
committed
Unix-style wildcards doc
janbridley
committed
Remove exclamation points
janbridley
committed
Clean up development guide
janbridley
committed
Swap to RST link style for doc comment
janbridley
committed
Update type hints
janbridley
committed
Add type hints where they cannot be inferred
janbridley
committed
Standardize error handling for gemmi tests
janbridley
committed
Clean up unused TODOs
janbridley
committed
One straggler TODO
janbridley
committed
Note TODO
janbridley
committed
Swap note -> attention admonition
janbridley
committed
Swap to caution
janbridley
committed
One more caution
janbridley
committed
Add GSD requirement for testing
janbridley
committed
Fix typos
janbridley
committed
Add HOOMD-Blue example and examples toc section
janbridley
committed
Add LAMMPS example
janbridley
committed
Fix LAMMPS example
janbridley
committed
Remove unused line
janbridley
committed
Add noisy data and fix headers
janbridley
committed
Final title
janbridley
committed
Doctest LAMMPS output
janbridley
committed

Commits on Dec 9, 2025

Add example on numerical precision
janbridley
committed
Update requirements file for py3.14
janbridley
committed
Update changelog.rst
janbridley
committed
Fix label in CHANGELOG
janbridley
committed

Commits on Dec 10, 2025

Pre-compile patterns for unit cell evaluation
janbridley
committed
Add example for setting Wyckoff sites
janbridley
committed
Fix doctest-requires
janbridley
committed
Add warning for setting structure
janbridley
committed
Fix type annotation
janbridley
committed
Include only necessary data
janbridley
committed
Merge branch 'doc/grammar' into feat/set_basis
janbridley
authored

Commits on Dec 12, 2025

sphinx-inline-tabs
janbridley
committed
Description of Wyckoff postions
janbridley
committed
Move up table and fix formatting
janbridley
committed
Merge branch 'main' into feat/set_basis
janbridley
authored
Restore heading
janbridley
committed

Commits on Jan 2, 2026

Merge branch 'main' into feat/set_basis
janbridley
authored
Fix format
janbridley
committed
Clean up text
janbridley
committed
Clarify number of atoms
janbridley
committed
Clarify optimal structure
janbridley
committed
en dash -> em dash
janbridley
committed
Tighten up text
janbridley
committed
Fix indentation typo
janbridley
committed

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