FAIRmat-NFDI / nomad-parser-plugins-simulation / 29026229440

76%

Build Type

push

github

Committed by web-flow

Commit Message

Migration of fundamental system and electronic properties for normalization to results (#170)

Replace manual `archive.run` population with declarative `add_mapping_annotation`
for electronic outputs (`electronic_eigenvalues`, `electronic_dos`,
`electronic_band_gaps`, band structures) across the simulation parsers, feeding
the downstream results normalizer.

Additive: verified against `develop` via a per-parser snapshot leaf-diff — no
archive data removed; the only value changes are `VASP` OUTCAR eigenvalue unit
storage (eV to J) and a `QuantumESPRESSO` fractional-to-cartesian coordinate fix.

Follow-ups: #184, #190, #191, #192, #193.

Coverage Stats

1360 of 1971 new or added lines in 40 files covered. (69.0%)

23 existing lines in 8 files now uncovered.

10250 of 13507 relevant lines covered (75.89%)

0.76 hits per line