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nomad-lab
parser-cp2k
Commits
6755ba03
Commit
6755ba03
authored
Jun 02, 2016
by
Lauri Himanen
Browse files
Added the xml file used to create the input metadata.
parent
13a258c5
Changes
3
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.gitignore
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6755ba03
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@@ -65,7 +65,7 @@ test/**/*.wfn.bak-1
test/**/*.wfn.bak-2
test/**/*.wfn.bak-3
test/**/*.png
parser/parser-cp2k/cp2kparser/versions/**/input_data/*.xml
#
parser/parser-cp2k/cp2kparser/versions/**/input_data/*.xml
parser/parser-cp2k/cp2kparser/versions/**/input_data/*.html
test/unittests/BASIS_SET
test/unittests/GTH_POTENTIALS
...
...
parser/parser-cp2k/cp2kparser/versions/cp2k262/input_data/cp2k_input.xml
0 → 100644
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6755ba03
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test/unittests/cp2k_2.6.2/callgraph.py
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6755ba03
#
from pycallgraph import PyCallGraph
#
from pycallgraph.output import GraphvizOutput
from
pycallgraph
import
PyCallGraph
from
pycallgraph.output
import
GraphvizOutput
from
cp2kparser
import
CP2KParser
# with PyCallGraph(output=GraphvizOutput()):
filepath
=
"/home/lauri/Dropbox/nomad-dev/nomad-lab-base/parsers/cp2k/test/unittests/cp2k_2.6.2/energy_force/unittest.out"
parser
=
CP2KParser
(
filepath
)
parser
.
parse
()
with
PyCallGraph
(
output
=
GraphvizOutput
()):
filepath
=
"/home/lauri/Dropbox/nomad-dev/nomad-lab-base/parsers/cp2k/test/unittests/cp2k_2.6.2/energy_force/unittest.out"
parser
=
CP2KParser
(
filepath
)
parser
.
parse
()
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