Advanced Notes

Advanced notes collect terminology and diagnostics that are important for expert users, maintainers, and validation work, but should not be required for the first successful run.

Topics That Belong Here

SSG, OSSG, and MSG concepts Conceptual relationship between nonrelativistic spin-space symmetry and magnetic-space-group descriptions.

Cell settings The difference between input, input magnetic primitive, database standard, convention, ACC primitive, and ACC conventional settings.

Transform diagnostics How transforms connect cells and operation payloads, and how route audits should be read when a case fails.

Tolerance interpretation How space_tol, mtol, meigtol, matrix_tol, and parser_atol affect matching and classification.

SCIF generator details Repo-local tags, symbolic numeric formatting, roundtrip behavior, and quasi-2D metadata.

Batch validation Regression suites, export columns, baseline comparison, and high-throughput screening workflows.

Placement Rule

If a page is needed to run the first example, choose an API, or read the main result fields, it belongs in the guide.

If a page defines exact function signatures, returned fields, CLI flags, or SCIF modes, it belongs in the reference.

If a page explains route internals, database settings, transform audits, or development validation, it belongs here.