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Added actual parsers qbox, fleur, molcas, dmol. Other parser related fixed....
Added actual parsers qbox, fleur, molcas, dmol. Other parser related fixed. Processing catching sys.exit in tasks and parsers.
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- .gitmodules 28 additions, 1 deletion.gitmodules
- dependencies/parsers/band 1 addition, 1 deletiondependencies/parsers/band
- dependencies/parsers/dmol3 1 addition, 1 deletiondependencies/parsers/dmol3
- dependencies/parsers/fleur 1 addition, 1 deletiondependencies/parsers/fleur
- dependencies/parsers/molcas 1 addition, 1 deletiondependencies/parsers/molcas
- dependencies/parsers/onetep 1 addition, 1 deletiondependencies/parsers/onetep
- dependencies/parsers/phonopy 1 addition, 1 deletiondependencies/parsers/phonopy
- dependencies/parsers/qbox 1 addition, 1 deletiondependencies/parsers/qbox
- nomad/parsing/__init__.py 18 additions, 10 deletionsnomad/parsing/__init__.py
- nomad/processing/base.py 2 additions, 0 deletionsnomad/processing/base.py
- nomad/processing/data.py 8 additions, 4 deletionsnomad/processing/data.py
- tests/data/parsers/dmol3/h2o.outmol 1143 additions, 0 deletionstests/data/parsers/dmol3/h2o.outmol
- tests/data/parsers/fleur/enpara 4 additions, 0 deletionstests/data/parsers/fleur/enpara
- tests/data/parsers/fleur/inp 43 additions, 0 deletionstests/data/parsers/fleur/inp
- tests/data/parsers/fleur/inp.xml 437 additions, 0 deletionstests/data/parsers/fleur/inp.xml
- tests/data/parsers/fleur/kpts 366 additions, 0 deletionstests/data/parsers/fleur/kpts
- tests/data/parsers/fleur/out 56598 additions, 0 deletionstests/data/parsers/fleur/out
- tests/data/parsers/fleur/out-forces.xml 3573 additions, 0 deletionstests/data/parsers/fleur/out-forces.xml
- tests/data/parsers/fleur/out.xml 30968 additions, 0 deletionstests/data/parsers/fleur/out.xml
- tests/data/parsers/fleur/sym.out 5 additions, 0 deletionstests/data/parsers/fleur/sym.out
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