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- Downloads
Added lot of MD parsing functionality.
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- parser/parser-cpmd/cpmdparser/versions/cpmd41/commonparser.py 10 additions, 4 deletions...er/parser-cpmd/cpmdparser/versions/cpmd41/commonparser.py
- parser/parser-cpmd/cpmdparser/versions/cpmd41/mdparser.py 143 additions, 75 deletionsparser/parser-cpmd/cpmdparser/versions/cpmd41/mdparser.py
- test/unittests/cpmd_4.1/md/dcd/ENERGIES 2 additions, 47 deletionstest/unittests/cpmd_4.1/md/dcd/ENERGIES
- test/unittests/cpmd_4.1/md/dcd/GEOMETRY 2 additions, 2 deletionstest/unittests/cpmd_4.1/md/dcd/GEOMETRY
- test/unittests/cpmd_4.1/md/dcd/GEOMETRY.xyz 2 additions, 2 deletionstest/unittests/cpmd_4.1/md/dcd/GEOMETRY.xyz
- test/unittests/cpmd_4.1/md/dcd/RESTART.1 0 additions, 0 deletionstest/unittests/cpmd_4.1/md/dcd/RESTART.1
- test/unittests/cpmd_4.1/md/dcd/TRAJEC.dcd 0 additions, 0 deletionstest/unittests/cpmd_4.1/md/dcd/TRAJEC.dcd
- test/unittests/cpmd_4.1/md/dcd/TRAJECTORY 0 additions, 90 deletionstest/unittests/cpmd_4.1/md/dcd/TRAJECTORY
- test/unittests/cpmd_4.1/md/dcd/input.inp 1 addition, 1 deletiontest/unittests/cpmd_4.1/md/dcd/input.inp
- test/unittests/cpmd_4.1/md/dcd/output.out 55 additions, 101 deletionstest/unittests/cpmd_4.1/md/dcd/output.out
- test/unittests/cpmd_4.1/md/nve/ENERGIES 3 additions, 48 deletionstest/unittests/cpmd_4.1/md/nve/ENERGIES
- test/unittests/cpmd_4.1/md/nve/GEOMETRY 2 additions, 2 deletionstest/unittests/cpmd_4.1/md/nve/GEOMETRY
- test/unittests/cpmd_4.1/md/nve/GEOMETRY.xyz 2 additions, 2 deletionstest/unittests/cpmd_4.1/md/nve/GEOMETRY.xyz
- test/unittests/cpmd_4.1/md/nve/RESTART.1 0 additions, 0 deletionstest/unittests/cpmd_4.1/md/nve/RESTART.1
- test/unittests/cpmd_4.1/md/nve/TRAJEC.xyz 0 additions, 180 deletionstest/unittests/cpmd_4.1/md/nve/TRAJEC.xyz
- test/unittests/cpmd_4.1/md/nve/TRAJECTORY 0 additions, 90 deletionstest/unittests/cpmd_4.1/md/nve/TRAJECTORY
- test/unittests/cpmd_4.1/md/nve/input.inp 1 addition, 1 deletiontest/unittests/cpmd_4.1/md/nve/input.inp
- test/unittests/cpmd_4.1/md/nve/output.out 60 additions, 106 deletionstest/unittests/cpmd_4.1/md/nve/output.out
- test/unittests/cpmd_4.1/md/trajectory/ENERGIES 5 additions, 0 deletionstest/unittests/cpmd_4.1/md/trajectory/ENERGIES
- test/unittests/cpmd_4.1/md/trajectory/GEOMETRY 2 additions, 0 deletionstest/unittests/cpmd_4.1/md/trajectory/GEOMETRY
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