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Initial commit for CPMD.
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- .gitignore 56 additions, 0 deletions.gitignore
- .gitlab-ci.yml 17 additions, 0 deletions.gitlab-ci.yml
- README.md 100 additions, 5 deletionsREADME.md
- parser/parser-cpmd/cpmdparser/__init__.py 1 addition, 0 deletionsparser/parser-cpmd/cpmdparser/__init__.py
- parser/parser-cpmd/cpmdparser/generic/__init__.py 0 additions, 0 deletionsparser/parser-cpmd/cpmdparser/generic/__init__.py
- parser/parser-cpmd/cpmdparser/parser.py 67 additions, 0 deletionsparser/parser-cpmd/cpmdparser/parser.py
- parser/parser-cpmd/cpmdparser/scalainterface.py 17 additions, 0 deletionsparser/parser-cpmd/cpmdparser/scalainterface.py
- parser/parser-cpmd/cpmdparser/setup_paths.py 17 additions, 0 deletionsparser/parser-cpmd/cpmdparser/setup_paths.py
- parser/parser-cpmd/cpmdparser/versions/__init__.py 0 additions, 0 deletionsparser/parser-cpmd/cpmdparser/versions/__init__.py
- parser/parser-cpmd/cpmdparser/versions/cpmd41/__init__.py 0 additions, 0 deletionsparser/parser-cpmd/cpmdparser/versions/cpmd41/__init__.py
- parser/parser-cpmd/cpmdparser/versions/versionsetup.py 62 additions, 0 deletionsparser/parser-cpmd/cpmdparser/versions/versionsetup.py
- setup.py 33 additions, 0 deletionssetup.py
- src/main/scala/eu/nomad_lab/parsers/CpmdParser.scala 56 additions, 0 deletionssrc/main/scala/eu/nomad_lab/parsers/CpmdParser.scala
- src/test/scala/eu/nomad_lab/parsers/CpmdParserSpec.scala 15 additions, 0 deletionssrc/test/scala/eu/nomad_lab/parsers/CpmdParserSpec.scala
- test/unittests/README.md 6 additions, 0 deletionstest/unittests/README.md
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