Added `sample_kind` to `ModelOutput`, without breaking changes#168

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pfebrer wants to merge 7 commits intomainfrom

Commits on Apr 15, 2026

Change `per_atom` into `sample_kind` while keeping backward compatibility

pfebrer
and
Luthaf
committed

Commits on Apr 17, 2026

deprecate(ModelOutput.per_atom): tolerate runtime warnings in tests and migrate call sites
HaoZeke
committed
fix(tests): handle per_atom deprecation at the emission site
HaoZeke
committed
ci(lj-test): temporarily point the test LJ pin at a migrated fork commit
HaoZeke
committed
ci(lj-test): pin both environments to metatensor/lj-test@eea52c6
HaoZeke
committed
Merge remote-tracking branch 'upstream/main' into sample_kind
HaoZeke
committed
fix(tests/outputs): migrate spin_multiplicity to sample_kind and use
HaoZeke
committed