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- .gitignore 58 additions, 0 deletions.gitignore
- .gitlab-ci.yml 19 additions, 0 deletions.gitlab-ci.yml
- README.md 94 additions, 6 deletionsREADME.md
- parser/parser-big-dft/bigdftparser/__init__.py 1 addition, 0 deletionsparser/parser-big-dft/bigdftparser/__init__.py
- parser/parser-big-dft/bigdftparser/generic/__init__.py 0 additions, 0 deletionsparser/parser-big-dft/bigdftparser/generic/__init__.py
- parser/parser-big-dft/bigdftparser/parser.py 79 additions, 0 deletionsparser/parser-big-dft/bigdftparser/parser.py
- parser/parser-big-dft/bigdftparser/regtest/bigdft_1.8.0/run_tests.py 756 additions, 0 deletions...er-big-dft/bigdftparser/regtest/bigdft_1.8.0/run_tests.py
- parser/parser-big-dft/bigdftparser/scalainterface.py 17 additions, 0 deletionsparser/parser-big-dft/bigdftparser/scalainterface.py
- parser/parser-big-dft/bigdftparser/setup_paths.py 17 additions, 0 deletionsparser/parser-big-dft/bigdftparser/setup_paths.py
- parser/parser-big-dft/bigdftparser/tools/__init__.py 0 additions, 0 deletionsparser/parser-big-dft/bigdftparser/tools/__init__.py
- parser/parser-big-dft/bigdftparser/versions/__init__.py 0 additions, 0 deletionsparser/parser-big-dft/bigdftparser/versions/__init__.py
- parser/parser-big-dft/bigdftparser/versions/bigdft180/__init__.py 0 additions, 0 deletions...arser-big-dft/bigdftparser/versions/bigdft180/__init__.py
- parser/parser-big-dft/bigdftparser/versions/bigdft180/mainparser.py 120 additions, 0 deletions...ser-big-dft/bigdftparser/versions/bigdft180/mainparser.py
- setup.py 29 additions, 0 deletionssetup.py
- src/main/scala/eu/nomad_lab/parsers/NWChemParser.scala 51 additions, 0 deletionssrc/main/scala/eu/nomad_lab/parsers/NWChemParser.scala
- src/test/scala/eu/nomad_lab/parsers/BigDFTParserSpec.scala 15 additions, 0 deletionssrc/test/scala/eu/nomad_lab/parsers/BigDFTParserSpec.scala
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