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nomad-lab
parser-nwchem
Commits
744da03f
Commit
744da03f
authored
Sep 05, 2016
by
Lauri Himanen
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Changed CPMD to NWChem in scalainterface.py.
parent
1c0d3c3d
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parser/parser-nwchem/nwchemparser/scalainterface.py
parser/parser-nwchem/nwchemparser/scalainterface.py
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parser/parser-nwchem/nwchemparser/scalainterface.py
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744da03f
...
...
@@ -6,12 +6,12 @@ from __future__ import absolute_import
import
sys
import
setup_paths
from
nomadcore.parser_backend
import
JsonParseEventsWriterBackend
from
cpmdparser
import
CPMD
Parser
from
nwchemparser
import
NWChem
Parser
if
__name__
==
"__main__"
:
# Initialise the parser with the main filename and a JSON backend
main_file
=
sys
.
argv
[
1
]
parser
=
CPMD
Parser
(
main_file
,
backend
=
JsonParseEventsWriterBackend
)
parser
=
NWChem
Parser
(
main_file
,
backend
=
JsonParseEventsWriterBackend
)
parser
.
parse
()
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