071dc6f4a5
adjusted to new signature
2020-02-21 18:50:30 +01:00
ffb80981b1
use central functionality
2020-02-21 17:49:17 +01:00
6a0760a13c
documentation polishing
2020-02-21 17:42:01 +01:00
a433f7ef54
style unification
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backport from dadf5-usability branch
2020-02-21 13:03:50 +01:00
16ddd9c5b2
better name
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backport from dadf5-usability branch
2020-02-21 12:20:42 +01:00
c1caef4bc9
fixing prospector complaints
2020-02-21 08:13:10 +01:00
98f5c601a3
line too long
2020-02-21 07:58:10 +01:00
f6c921e811
Merge branch 'development' into DADF5_point_calculations-2
2020-02-21 07:56:19 +01:00
8ae3346bd4
constituents/components are not handled by "view" (active)
2020-02-21 07:46:55 +01:00
c3740b4ba0
follow 4 space indentation convention
2020-02-21 07:45:05 +01:00
effaef46db
simplified interface
2020-02-21 07:39:53 +01:00
9beca6488c
more verbose description
2020-02-21 07:21:45 +01:00
d36181b857
[skip ci] updated version information after successful test of v2.0.3-1732-gab88ffd2
2020-02-21 00:45:18 +01:00
ab88ffd28e
Merge branch 'MiscImprovements' into development
2020-02-20 22:15:02 +01:00
a608310920
correct printing of error messages
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'{}'.format(np.ones(3)) gives only '1', but we want to see '[1 1 1]'
2020-02-20 18:59:57 +01:00
b1a4ed4cbe
[skip ci] updated version information after successful test of v2.0.3-1726-gef4b7437
2020-02-20 16:32:19 +01:00
bc1d356d21
fixing prospector complaints
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'except Exception': not really nice, but shell scripts will be remove
soon anyway
2020-02-20 15:27:37 +01:00
d108d76a61
was never read
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probably it was optimized away by the compiler, still confusing
2020-02-20 15:08:32 +01:00
e93f5c84ff
'buffered' has no effect any more
2020-02-20 15:05:38 +01:00
ef4b7437f3
Input arguments of a function to be declared first.
2020-02-20 14:01:26 +01:00
251d55fe09
current thread pool is useless for performance
...
https://stackoverflow.com/questions/33969151
https://stackoverflow.com/questions/10789042
2020-02-16 11:00:09 +01:00
95cfa3f173
more tests...
2020-02-16 10:04:33 +01:00
065fc9ffde
using DAMASK_NUM_THREADS controls # workers for add_XXX
2020-02-16 09:49:55 +01:00
36c1744a59
proper indentation
2020-02-16 09:21:21 +01:00
a70721df53
write out proper Miller indices
2020-02-15 20:09:24 +01:00
5235c27ad0
making new mechanics functions available for DADF5
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+ testing them
2020-02-15 17:56:20 +01:00
118c03c485
tests for new functionality
2020-02-15 16:59:30 +01:00
ad062ada6b
option (as in addSpectralDecomposition)
2020-02-15 16:26:56 +01:00
e3753e9444
use central functionality
2020-02-15 16:11:57 +01:00
5822ad8b05
new functions (takeover from old branch)
2020-02-15 15:13:56 +01:00
e46395be41
sorted alphabetically
2020-02-15 14:21:23 +01:00
79533b075e
eigenvalues is more specific name than principal components
2020-02-15 13:56:15 +01:00
a8e2ee0a86
[skip ci] is read only for other modules
2020-02-14 21:31:03 +01:00
6adb116712
[skip ci] whitespace adjustments
2020-02-14 06:24:17 +01:00
4f7bbb323e
not needed
2020-02-13 18:43:20 +01:00
64e86666c6
also set initial det(Fp)=0
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Marc element lib test failed otherwise for type 117
2020-02-13 17:10:27 +01:00
0f70a19266
Fp matters, not Fp^-1
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mathematically absolutely equivalent, but numerically not. Sometikes makes a
huge difference in convergence behavior, even though abs(det(Fp)-1) is
in the order of 1e-15
2020-02-13 14:48:32 +01:00
fc82ec9b1b
tiny deviations from det(Fp) = 1 cause convergence problems
2020-02-13 09:18:49 +01:00
fa903c6f35
not needed anymore
2020-02-12 20:50:09 +01:00
b861ad11c1
tiny differences between orientation conversions result in more
...
iterations
Seen so far only for plasticityDetectChanges test (confirmed for dislotwin and
phenopowerlaw).
The max difference between the entries of the rotation matrix from
orientation0%asMatrix() and eu2om(Eulers)/eu2om(orientation0%asEulers) is
1e-15. This is the ratio of km/atom radius! Still, the number of
iterations is consistently higher.
Results are the same. I believe this is a strange coincidence where one
particular orientation causes problems. The current version recovers almost the 'good' behavior
of math_EulerToR(Eulers)
2020-02-12 20:49:02 +01:00
8770613e9c
better readable
2020-02-12 06:26:22 +01:00
ab475b7c6b
need 'error return'
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revert from change in 5b72110d
2020-02-12 06:02:37 +01:00
4583067b1f
using more complex test for MSC.Marc input decks
2020-02-11 17:57:27 +01:00
08174a119f
consistent name
2020-02-11 17:50:07 +01:00
5b72110d0a
simplified
2020-02-11 17:47:48 +01:00
e212f91fac
print statements prevents reading code
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first re-structure and clean, than re-implement where useful
2020-02-11 17:41:30 +01:00
6463fcdabd
consistent names
2020-02-11 17:36:43 +01:00
c2c84d698f
Merge remote-tracking branch 'origin/development' into MiscImprovements
2020-02-11 17:11:43 +01:00
3dacd3d931
[skip ci] updated version information after successful test of v2.0.3-1639-g81ae6686
2020-02-11 12:55:48 +01:00
81ae66860a
Merge remote-tracking branch 'remotes/origin/explicitNonlocal' into development
2020-02-11 10:32:53 +01:00
Martin Diehl