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Ran 27 Jul 2026 08:31PM UTC

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Committed 27 Jul 2026 08:19PM UTC coverage: 76.214% (+0.3%) from 75.892%

Job # 30302090698.1

Build Type

Pull #196

github

Committed by

ndaelman-hu

Commit Message

Address review: robust `DFT.xc` binding and log unmapped XC tags

- Bind `DFT.xc` to `.@` for both sources instead of a specific nested vasprun
  separator. `get_functional_key` walks the full `<parameters>` tree itself, so
  the binding only needs to materialize the subsection, and `.@` always exists
  (the nested `electronic exchange-correlation` separator can be absent/empty).
- Log a debug message for a present-but-unmapped VASP GGA/METAGGA tag instead
  of dropping it silently; still leave `functional_key` unset, since the raw
  VASP tag is not a canonical name the schema can expand.

Pull Request Pull Request #196: Parse the VASP DFT exchange-correlation functional and Jacob's ladder

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