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Cleaned up test data, added wien2k.
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- .gitignore 1 addition, 1 deletion.gitignore
- .gitlab-ci.yml 45 additions, 21 deletions.gitlab-ci.yml
- .vscode/launch.json 40 additions, 0 deletions.vscode/launch.json
- Dockerfile 0 additions, 3 deletionsDockerfile
- nomad/dependencies.py 1 addition, 1 deletionnomad/dependencies.py
- nomad/normalizing/system.py 3 additions, 2 deletionsnomad/normalizing/system.py
- nomad/parsing/__init__.py 16 additions, 13 deletionsnomad/parsing/__init__.py
- nomad/parsing/parser.py 8 additions, 2 deletionsnomad/parsing/parser.py
- test_file_name.json 614 additions, 0 deletionstest_file_name.json
- tests/data/parsers/cpmd/input.inp 4 additions, 4 deletionstests/data/parsers/cpmd/input.inp
- tests/data/parsers/cpmd/md_output.out 0 additions, 374 deletionstests/data/parsers/cpmd/md_output.out
- tests/data/parsers/cpmd/output.out 0 additions, 397 deletionstests/data/parsers/cpmd/output.out
- tests/data/parsers/cpmd/sg_output.out 0 additions, 286 deletionstests/data/parsers/cpmd/sg_output.out
- tests/data/parsers/fhi-aims/aims.out 0 additions, 0 deletionstests/data/parsers/fhi-aims/aims.out
- tests/data/parsers/match_test/vasprun.xml 8 additions, 0 deletionstests/data/parsers/match_test/vasprun.xml
- tests/data/parsers/match_test/vasprun.xml.bands 10 additions, 0 deletionstests/data/parsers/match_test/vasprun.xml.bands
- tests/data/parsers/match_test/vasprun.xml.relax2 4 additions, 0 deletionstests/data/parsers/match_test/vasprun.xml.relax2
- tests/data/parsers/match_test/vasprun.xml.static 1 addition, 0 deletionstests/data/parsers/match_test/vasprun.xml.static
- tests/data/parsers/nwchem/geo_opt/input.b 0 additions, 0 deletionstests/data/parsers/nwchem/geo_opt/input.b
- tests/data/parsers/nwchem/geo_opt/input.b^-1 0 additions, 0 deletionstests/data/parsers/nwchem/geo_opt/input.b^-1
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