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nomad-lab
parser-cp2k
Commits
4fc00e8b
Commit
4fc00e8b
authored
Apr 25, 2016
by
Lauri Himanen
Browse files
Fixed issue with adding a non-numpy array to backend.
parent
dc3d48fd
Changes
1
Hide whitespace changes
Inline
Side-by-side
parser/parser-cp2k/cp2kparser/versions/cp2k262/inputparser.py
View file @
4fc00e8b
import
os
import
logging
import
cPickle
as
pickle
import
numpy
as
np
from
cp2kparser.generic.baseclasses
import
BasicParser
from
cp2kparser.generic.inputparsing
import
*
logger
=
logging
.
getLogger
(
"nomad"
)
...
...
@@ -116,7 +117,7 @@ class CP2KInputParser(BasicParser):
elif
periodicity
==
"Z"
:
periodicity_list
=
(
False
,
False
,
True
)
if
periodicity_list
is
not
None
:
self
.
backend
.
addValue
(
"configuration_periodic_dimensions"
,
periodicity_list
)
self
.
backend
.
add
Array
Value
s
(
"configuration_periodic_dimensions"
,
np
.
asarray
(
periodicity_list
)
)
else
:
logger
.
warning
(
"Could not determine cell periodicity from FORCE_EVAL/SUBSYS/CELL/PERIODIC"
)
...
...
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