FAIRmat-NFDI / nomad-parser-plugins-simulation

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Build # 21150218852

Build Type

push

github

Committed by ndaelman-hu

Commit Message

Add `model_method` population tests for all parsers

Add tests to verify that `model_method` is properly initialized and accessible for all simulation parsers. The tests check that:

- Quantum/DFT parsers (VASP, Quantum Espresso, ABINIT, etc.) populate `model_method` with computational method details
- MD parsers (GROMACS, LAMMPS, H5MD) have `model_method` available (may be empty for classical simulations)
- All parsers properly initialize the `model_method` field in the archive data structure

Parsers tested:
- ABINIT, AMS, CRYSTAL, Exciting, FHI-aims
- GROMACS, H5MD, LAMMPS
- Octopus, Phonopy
- Quantum ESPRESSO (pwscf, epw, phonon)
- VASP (vasprun, OUTCAR)
- Wannier90

All 66 tests pass successfully.

Run Details

100 of 102 new or added lines in 13 files covered. (98.04%)

5233 of 7767 relevant lines covered (67.37%)

0.67 hits per line