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nomad-lab
parser-quasi-harmonic-properties
Commits
ce95b5de
Commit
ce95b5de
authored
Jan 26, 2017
by
Hagen-Henrik Kowalski
Browse files
some bugfixes
parent
561201f8
Changes
1
Hide whitespace changes
Inline
Side-by-side
parser/parser-quasi-harmonic-properties/qhp.py
View file @
ce95b5de
import
numpy
as
np
import
os
import
argparse
import
setup_paths
from
nomadcore.unit_conversion.unit_conversion
import
convert_unit_function
from
nomadcore.parser_backend
import
*
...
...
@@ -52,7 +54,7 @@ if __name__ == '__main__':
args
=
parser
.
parse_args
()
if
args
.
mainFilePath
:
mainDir
=
os
.
path
.
dirname
(
os
.
path
.
dirname
(
os
.
path
.
abspath
(
args
.
mainFilePath
)
))
mainDir
=
os
.
path
.
dirname
(
args
.
mainFilePath
)
os
.
chdir
(
mainDir
)
with
open
(
"Quasi-harmonic_properties.txt"
)
as
qh
:
for
line
in
qh
:
...
...
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