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- parser/parser-cpmd/cpmdparser/parser.py 6 additions, 0 deletionsparser/parser-cpmd/cpmdparser/parser.py
- parser/parser-cpmd/cpmdparser/versions/cpmd41/commonparser.py 26 additions, 3 deletions...er/parser-cpmd/cpmdparser/versions/cpmd41/commonparser.py
- parser/parser-cpmd/cpmdparser/versions/cpmd41/geooptparser.py 0 additions, 2 deletions...er/parser-cpmd/cpmdparser/versions/cpmd41/geooptparser.py
- parser/parser-cpmd/cpmdparser/versions/cpmd41/mdparser.py 159 additions, 0 deletionsparser/parser-cpmd/cpmdparser/versions/cpmd41/mdparser.py
- src/main/scala/eu/nomad_lab/parsers/CpmdParser.scala 1 addition, 0 deletionssrc/main/scala/eu/nomad_lab/parsers/CpmdParser.scala
- src/test/scala/eu/nomad_lab/parsers/CpmdParserSpec.scala 4 additions, 1 deletionsrc/test/scala/eu/nomad_lab/parsers/CpmdParserSpec.scala
- test/examples/md/ENERGIES 50 additions, 0 deletionstest/examples/md/ENERGIES
- test/examples/md/GEOMETRY 2 additions, 0 deletionstest/examples/md/GEOMETRY
- test/examples/md/GEOMETRY.xyz 4 additions, 0 deletionstest/examples/md/GEOMETRY.xyz
- test/examples/md/LATEST 2 additions, 0 deletionstest/examples/md/LATEST
- test/examples/md/RESTART.1 0 additions, 0 deletionstest/examples/md/RESTART.1
- test/examples/md/TRAJEC.xyz 200 additions, 0 deletionstest/examples/md/TRAJEC.xyz
- test/examples/md/TRAJECTORY 100 additions, 0 deletionstest/examples/md/TRAJECTORY
- test/examples/md/input.inp 41 additions, 0 deletionstest/examples/md/input.inp
- test/examples/md/output.out 374 additions, 0 deletionstest/examples/md/output.out
- test/examples/md/run.sh 3 additions, 0 deletionstest/examples/md/run.sh
- test/unittests/cpmd_4.1/md/dcd/ENERGIES 50 additions, 0 deletionstest/unittests/cpmd_4.1/md/dcd/ENERGIES
- test/unittests/cpmd_4.1/md/dcd/GEOMETRY 2 additions, 0 deletionstest/unittests/cpmd_4.1/md/dcd/GEOMETRY
- test/unittests/cpmd_4.1/md/dcd/GEOMETRY.xyz 4 additions, 0 deletionstest/unittests/cpmd_4.1/md/dcd/GEOMETRY.xyz
- test/unittests/cpmd_4.1/md/dcd/LATEST 2 additions, 0 deletionstest/unittests/cpmd_4.1/md/dcd/LATEST
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