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- Downloads
"git@gitlab.mpcdf.mpg.de:ift/nifty.git" did not exist on "e8a4c9c3a0c370e071077cb36b57c1eb02ab3ba6"
Now MD parsing can handle different files and print settings gracefully.
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- parser/parser-cpmd/cpmdparser/versions/cpmd41/inputparser.py 25 additions, 0 deletionsparser/parser-cpmd/cpmdparser/versions/cpmd41/inputparser.py
- parser/parser-cpmd/cpmdparser/versions/cpmd41/mdparser.py 58 additions, 26 deletionsparser/parser-cpmd/cpmdparser/versions/cpmd41/mdparser.py
- test/unittests/cpmd_4.1/geo_opt/xyz/GEOMETRY 2 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/xyz/GEOMETRY
- test/unittests/cpmd_4.1/geo_opt/xyz/GEOMETRY.xyz 4 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/xyz/GEOMETRY.xyz
- test/unittests/cpmd_4.1/geo_opt/xyz/GEO_OPT.xyz 20 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/xyz/GEO_OPT.xyz
- test/unittests/cpmd_4.1/geo_opt/xyz/HESSIAN 7 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/xyz/HESSIAN
- test/unittests/cpmd_4.1/geo_opt/xyz/LATEST 2 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/xyz/LATEST
- test/unittests/cpmd_4.1/geo_opt/xyz/RESTART.1 0 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/xyz/RESTART.1
- test/unittests/cpmd_4.1/geo_opt/xyz/input.inp 35 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/xyz/input.inp
- test/unittests/cpmd_4.1/geo_opt/xyz/output.out 394 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/xyz/output.out
- test/unittests/cpmd_4.1/geo_opt/xyz/run.sh 0 additions, 0 deletionstest/unittests/cpmd_4.1/geo_opt/xyz/run.sh
- test/unittests/cpmd_4.1/md/ftrajectory/ENERGIES 5 additions, 0 deletionstest/unittests/cpmd_4.1/md/ftrajectory/ENERGIES
- test/unittests/cpmd_4.1/md/ftrajectory/FTRAJECTORY 10 additions, 0 deletionstest/unittests/cpmd_4.1/md/ftrajectory/FTRAJECTORY
- test/unittests/cpmd_4.1/md/ftrajectory/GEOMETRY 2 additions, 0 deletionstest/unittests/cpmd_4.1/md/ftrajectory/GEOMETRY
- test/unittests/cpmd_4.1/md/ftrajectory/GEOMETRY.xyz 4 additions, 0 deletionstest/unittests/cpmd_4.1/md/ftrajectory/GEOMETRY.xyz
- test/unittests/cpmd_4.1/md/ftrajectory/LATEST 0 additions, 0 deletionstest/unittests/cpmd_4.1/md/ftrajectory/LATEST
- test/unittests/cpmd_4.1/md/ftrajectory/RESTART.1 0 additions, 0 deletionstest/unittests/cpmd_4.1/md/ftrajectory/RESTART.1
- test/unittests/cpmd_4.1/md/ftrajectory/input.inp 2 additions, 3 deletionstest/unittests/cpmd_4.1/md/ftrajectory/input.inp
- test/unittests/cpmd_4.1/md/ftrajectory/output.out 328 additions, 0 deletionstest/unittests/cpmd_4.1/md/ftrajectory/output.out
- test/unittests/cpmd_4.1/md/ftrajectory/run.sh 3 additions, 0 deletionstest/unittests/cpmd_4.1/md/ftrajectory/run.sh
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