FAIRmat-NFDI / nomad-simulations / 29029973558

86%

develop: 86%

Build Type

Pull #403

github

Committed by ndaelman-hu

Commit Message

Document the shared symmetry_tolerance and its schema-wide effect

Annotate the Symmetry Information section of the ModelSystem explanation
with the meaning of configuration.symmetry_tolerance (spglib symprec,
0.01 angstrom default), its effect on all derived symmetry metadata, and
the fact that SeeKpath k-point resolution reuses the same value so
k-points and the stored bravais_lattice stay consistent. Regenerate the
schema docs (adds the generated back-reference).

Pull Request Pull Request #403: fix KMesh high-symmetry point fallback for ASE lattice mismatches

Coverage Stats

99 of 101 new or added lines in 3 files covered. (98.02%)

61 existing lines in 2 files now uncovered.

9836 of 11424 relevant lines covered (86.1%)

2.58 hits per line