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kkr
jukkr
Commits
a982152e
Commit
a982152e
authored
6 years ago
by
Marcel Bornemann
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Merge branch 'dev2017' of
https://svn.version.fz-juelich.de/KKRnano
into dev2017
parents
558d20b7
3169d25e
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source/KKRnano/regtests/tests_nocosoc.py
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source/KKRnano/regtests/tests_nocosoc.py
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View file @
a982152e
...
...
@@ -89,7 +89,7 @@ def KKRnano(inputdir, nranks=DEFAULT_nranks, nthreads=DEFAULT_nthreads, solver=D
class
Test_nocosocmaterials
(
unittest
.
TestCase
):
def
test_MnGeB20
(
self
):
"""
Test chiral magnet MnGe B20 structure (8 atoms in unit cell)
"""
Etot
=
-
26017.
26596888
Etot
=
-
26017.
15044536
self
.
assertAlmostEqual
(
KKRnano
(
"
MnGeB20
"
,
solver
=
direct
,
nranks
=
8
),
Etot
,
DECIMALS
)
# takes longer than other tests
self
.
assertAlmostEqual
(
KKRnano
(
"
MnGeB20
"
,
solver
=
iterative
,
nranks
=
4
),
Etot
,
DECIMALS
)
# takes longer than other tests
...
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