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73e24472

Commit 73e24472 authored 9 years ago by Lauri Himanen

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Fixed an issue with simulation cell parsing, added cell files to unittests.

parent a2b5aed6

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Changes 7

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.gitignore 0 additions, 1 deletion

.gitignore
parser/parser-cp2k/cp2kparser/versions/cp2k262/commonmatcher.py 1 addition, 1 deletion

.../parser-cp2k/cp2kparser/versions/cp2k262/commonmatcher.py
parser/parser-cp2k/cp2kparser/versions/cp2k262/geooptparser.py 3 additions, 0 deletions

...r/parser-cp2k/cp2kparser/versions/cp2k262/geooptparser.py
parser/parser-cp2k/cp2kparser/versions/cp2k262/mdparser.py 9 additions, 1 deletion

parser/parser-cp2k/cp2kparser/versions/cp2k262/mdparser.py
parser/parser-cp2k/cp2kparser/versions/cp2k262/singlepointparser.py 1 addition, 0 deletions

...ser-cp2k/cp2kparser/versions/cp2k262/singlepointparser.py
test/unittests/cp2k_2.6.2/md/npt/H2O-md-1.cell 12 additions, 0 deletions

test/unittests/cp2k_2.6.2/md/npt/H2O-md-1.cell
test/unittests/cp2k_2.6.2/md/nve/H2O-32-1.cell 12 additions, 0 deletions

test/unittests/cp2k_2.6.2/md/nve/H2O-32-1.cell

with 38 additions and 3 deletions

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