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dd17d5a3

Commit dd17d5a3 authored 8 years ago by Lauri Himanen

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Fixed unit conversion error in scf onvergence criteria, + some refactoring.

parent 1794d649

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parser/parser-cp2k/cp2kparser/versions/cp2k262/commonparser.py 4 additions, 4 deletions

...r/parser-cp2k/cp2kparser/versions/cp2k262/commonparser.py
parser/parser-cp2k/cp2kparser/versions/cp2k262/geooptparser.py 2 additions, 2 deletions

...r/parser-cp2k/cp2kparser/versions/cp2k262/geooptparser.py
parser/parser-cp2k/cp2kparser/versions/cp2k262/mdparser.py 2 additions, 2 deletions

parser/parser-cp2k/cp2kparser/versions/cp2k262/mdparser.py
parser/parser-cp2k/cp2kparser/versions/cp2k262/singlepointparser.py 2 additions, 2 deletions

...ser-cp2k/cp2kparser/versions/cp2k262/singlepointparser.py
src/main/scala/eu/nomad_lab/parsers/Cp2kParser.scala 1 addition, 1 deletion

src/main/scala/eu/nomad_lab/parsers/Cp2kParser.scala
test/unittests/cp2k_2.6.2/run_tests.py 1 addition, 1 deletion

test/unittests/cp2k_2.6.2/run_tests.py

with 12 additions and 12 deletions

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