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Summary
This PR fixes some issues with labels and adds new tests for previously unspecified behaviour.
Major changes:
Site.label
(and derivatives) defaults to.species_string
instead ofNone
Neighbor
andPeriodicNeighbor
Closes #3166
Closes #3160
Checklist
ruff
.mypy
.duecredit
@due.dcite
decorators to reference relevant papers by DOI (example)Tip: Install
pre-commit
hooks to auto-check types and linting before every commit: