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nomad-lab
parser-cp2k
Commits
1c1c8e47
Commit
1c1c8e47
authored
9 years ago
by
Himanen, Lauri (himanel1)
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Fixed issue with pushing boolean values to backend.
parent
0b4b92ed
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2 changed files
parser/parser-cp2k/cp2kparser/generic/inputparsing.py
+1
-1
1 addition, 1 deletion
parser/parser-cp2k/cp2kparser/generic/inputparsing.py
test/unittests/cp2k_2.6.2/run_tests.py
+9
-9
9 additions, 9 deletions
test/unittests/cp2k_2.6.2/run_tests.py
with
10 additions
and
10 deletions
parser/parser-cp2k/cp2kparser/generic/inputparsing.py
+
1
−
1
View file @
1c1c8e47
...
...
@@ -186,7 +186,7 @@ class InputObject(object):
elif
self
.
data_type
==
"
string
"
:
returned
=
np
.
array
(
splitted
)
elif
self
.
data_type
==
"
logical
"
:
returned
=
np
.
array
(
[
True
if
x
.
upper
()
==
"
T
"
else
False
for
x
in
splitted
]
)
returned
=
np
.
array
(
splitted
)
else
:
logger
.
error
(
"
Unknown data type
'
{}
'"
.
format
(
self
.
data_type
))
return
...
...
This diff is collapsed.
Click to expand it.
test/unittests/cp2k_2.6.2/run_tests.py
+
9
−
9
View file @
1c1c8e47
...
...
@@ -270,7 +270,7 @@ class TestEnergyForce(unittest.TestCase):
@classmethod
def
setUpClass
(
cls
):
cls
.
results
=
get_results
(
"
energy_force
"
,
"
section_run
"
)
cls
.
results
.
print_summary
()
#
cls.results.print_summary()
def
test_energy_total_scf_iteration
(
self
):
energy_total
=
self
.
results
[
"
energy_total_scf_iteration
"
]
...
...
@@ -450,14 +450,14 @@ if __name__ == '__main__':
logger
.
setLevel
(
logging
.
ERROR
)
suites
=
[]
#
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestErrors))
#
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestXCFunctional))
suites
.
append
(
unittest
.
TestLoader
().
loadTestsFromTestCase
(
TestErrors
))
suites
.
append
(
unittest
.
TestLoader
().
loadTestsFromTestCase
(
TestXCFunctional
))
suites
.
append
(
unittest
.
TestLoader
().
loadTestsFromTestCase
(
TestEnergyForce
))
#
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestStressTensorMethods))
#
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSelfInteractionCorrectionMethod))
#
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestConfigurationPeriodicDimensions))
#
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSCFConvergence))
#
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestForceFiles))
#
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestPreprocessor))
suites
.
append
(
unittest
.
TestLoader
().
loadTestsFromTestCase
(
TestStressTensorMethods
))
suites
.
append
(
unittest
.
TestLoader
().
loadTestsFromTestCase
(
TestSelfInteractionCorrectionMethod
))
suites
.
append
(
unittest
.
TestLoader
().
loadTestsFromTestCase
(
TestConfigurationPeriodicDimensions
))
suites
.
append
(
unittest
.
TestLoader
().
loadTestsFromTestCase
(
TestSCFConvergence
))
suites
.
append
(
unittest
.
TestLoader
().
loadTestsFromTestCase
(
TestForceFiles
))
suites
.
append
(
unittest
.
TestLoader
().
loadTestsFromTestCase
(
TestPreprocessor
))
alltests
=
unittest
.
TestSuite
(
suites
)
unittest
.
TextTestRunner
(
verbosity
=
0
).
run
(
alltests
)
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