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Accept spin_multiplicity for the spin multiplicity - #2255
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Throughout fairchem, spin is the spin multiplicity (2S+1), not S, but the name keeps being misread. Add spin_multiplicity as the preferred, unambiguous name while keeping spin working everywhere: - AtomicData.from_ase/to_ase and validate_uma_atoms_data accept atoms.info[spin_multiplicity] (spin remains a legacy alias); conflicting values raise. Validation warns for omol with multiplicity 0 and for nonzero charge/spin on non-omol tasks. - AllScAIP delegates to the shared validator instead of duplicating it. - LAMMPS accepts spin_multiplicity: in lammps_fc_config.yaml (example omol config now 1) and spin_multiplicity= in its Python API; spin is a deprecated alias. - Docs use spin multiplicity (2S+1) consistently: fix FAIRChemCalculator defaults (omol -> 1) and range (1-100 for omol; 0 is the null token for non-omol tasks), and update quickstart, UMA guide, tutorial, FAQ, MD, batch inference and LAMMPS docs (llms regenerated). Existing scripts, datasets and checkpoints keep working: the internal AtomicData.spin field is unchanged.
Replace 'alias' with 'shorthand' in the spin_multiplicity wording (code, docs, tests; llms regenerated).
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Currently, spin is the spin multiplicity 2S+1, not S, so the name is ambiguous. This PR adds spin_multiplicity as the preferred name, and
spinis treated as a shorthand. Solves #2242