preliminary full implementation; functional test fails
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- nomad_dos_fingerprints/DOSfingerprint.py 50 additions, 6 deletionsnomad_dos_fingerprints/DOSfingerprint.py
- setup.py 1 addition, 1 deletionsetup.py
- tests/test_DOSfingerprint.py 14 additions, 3 deletionstests/test_DOSfingerprint.py
- tests/test_Grid.py 0 additions, 1 deletiontests/test_Grid.py
- tests/test_functional.py 3 additions, 1 deletiontests/test_functional.py
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