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71e689cc

Commit 71e689cc authored 9 years ago by Himanen, Lauri (himanel1)

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Scala integration should now be possible. Added test folder. Updated README.md.

parent c5d5ae16

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README.md 64 additions, 13 deletions

README.md
parser/parser-cp2k/cp2kparser/scalainterface.py 3 additions, 2 deletions

parser/parser-cp2k/cp2kparser/scalainterface.py
parser/parser-cp2k/cp2kparser/setup_paths.py 17 additions, 0 deletions

parser/parser-cp2k/cp2kparser/setup_paths.py
parser/parser-cp2k/cp2kparser/utils/baseclasses.py 8 additions, 0 deletions

parser/parser-cp2k/cp2kparser/utils/baseclasses.py
parser/parser-cp2k/setup.py 6 additions, 3 deletions

parser/parser-cp2k/setup.py
test/examples/BASIS_SET 4046 additions, 0 deletions

test/examples/BASIS_SET
test/examples/GTH_POTENTIALS 3256 additions, 0 deletions

test/examples/GTH_POTENTIALS
test/examples/Si_bulk8-RESTART.wfn 0 additions, 0 deletions

test/examples/Si_bulk8-RESTART.wfn
test/examples/Si_bulk8-RESTART.wfn.bak-1 0 additions, 0 deletions

test/examples/Si_bulk8-RESTART.wfn.bak-1
test/examples/Si_bulk_energy_force.inp 63 additions, 0 deletions

test/examples/Si_bulk_energy_force.inp
test/examples/Si_bulk_energy_force.out 760 additions, 0 deletions

test/examples/Si_bulk_energy_force.out

with 8223 additions and 18 deletions

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