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1315 Commits

Author SHA1 Message Date
Martin Diehl 67f0ab2ce8 silence deprecation warning 2021-02-22 08:46:28 +01:00
Martin Diehl b00b4bb0ad more general handling of precision 
Anaconda on windows does not have np.float128 defined, but aliases
should work
https://numpy.org/devdocs/user/basics.types.html
 2021-02-19 17:03:41 +01:00
Martin Diehl f5f993435b make intention clear 2021-02-19 16:34:28 +01:00
Martin Diehl ab9661d951 don't see how ':=' should help here 2021-02-19 07:04:34 +01:00
Martin Diehl 7c6ce525a3 ask for minimum version 2021-02-19 06:51:32 +01:00
Philip Eisenlohr f609b61157 Merge branch 'development' into account-for-floating-point-precision-in-orientation 2021-02-15 16:26:25 -05:00
Philip Eisenlohr 6bbd55d967 exchanged c for x in from_cubochoric 2021-02-15 16:25:36 -05:00
Philip Eisenlohr 002cfbd085 Merge branch 'account-for-floating-point-precision-in-orientation' into 'development' 
ensures that at least one orientation in the FZ is found

See merge request damask/DAMASK!337
 2021-02-15 20:53:37 +00:00
Philip Eisenlohr 89e8ca4535 renamed and shortened _separate_arguments() 2021-02-15 11:22:42 -05:00
Sharan Roongta 099cd90890 Merge remote-tracking branch 'origin/development' into python-improvements 2021-02-13 16:51:29 +01:00
Martin Diehl fe63adcca4 mimic python error message and ensure that error is raised 2021-02-12 18:20:39 +01:00
Sharan Roongta 9e8a243d6f avoid name conflict with lattice parameter 'c' 2021-02-12 12:15:08 +01:00
Sharan Roongta f1b8978e21 accept variables that will be used 
**kwargs allowed the use of extraneous arguments
 2021-02-12 11:24:12 +01:00
Martin Diehl 958936c449 Merge branch 'development' into polishing-for-release 2021-02-11 21:59:59 +01:00
Martin Diehl e8fae6b2a7 simplified 2021-02-11 21:56:53 +01:00
Martin Diehl 4e31862f0f avoid repetition 2021-02-10 18:35:13 +01:00
Martin Diehl 6895ef6b18 always write LF line endings 
small pitfall: I windows users use a filehandle that results from a call
to open() without the newline option, they get still CRLF line endings
 2021-02-10 10:03:35 +01:00
Martin Diehl 4bcbcb34d0 ensures that at least one orientation in the FZ is found 2021-02-09 23:58:00 +01:00
Martin Diehl 869307c5ec temperature not needed for pure mechanics 
would also require to define thermal homogenization
 2021-02-08 22:56:37 +01:00
Sharan Roongta cab5a5cec7 homogenization 'none' name misleading. 2021-02-04 15:37:40 +01:00
Sharan Roongta 14ce127dc4 fraction --> v 2021-02-04 13:46:01 +01:00
Martin Diehl 051e3ed0ae not needed anymore 2021-02-02 12:26:08 +01:00
Martin Diehl 0f6094890a simplified 
damask.environment does not offer any advantage over os.environ for
variables. After 'root_dir' was removed, the whole module became
obsolete
 2021-01-15 12:14:05 +01:00
Martin Diehl 37de561938 shell variables are more robust 
they will also work if Fortran and python code are installed in
different locations.
 2021-01-13 18:53:16 +01:00
Martin Diehl d76543f759 better name 2021-01-13 14:57:58 +01:00
Martin Diehl a7d998dd48 standard name 2021-01-13 14:53:50 +01:00
Martin Diehl 4c35da8627 simplified 2021-01-13 11:33:28 +01:00
Martin Diehl 196902948f simplified 2021-01-13 09:54:04 +01:00
Martin Diehl f4247e0f35 simpler (and scipy compatible) 2021-01-13 09:35:42 +01:00
Philip Eisenlohr 2d6e6a2370 Rotation composition uses "*"; application of Rotation to object uses "@"; "apply()" works on both 2021-01-12 18:57:33 -05:00
Philip Eisenlohr f0351e403a removed duplicate test 2021-01-07 11:01:15 -05:00
Philip Eisenlohr bde66d85fc Merge branch 'development' into python-improvements 2021-01-07 10:58:33 -05:00
Philip Eisenlohr 94cfe28128 polishing help; Rotation.apply(Rotation) now acceptable. 2021-01-06 18:03:10 -05:00
Martin Diehl acbb564afc restored functionalitity for adding list. 
got accidently lost
 2021-01-04 07:23:14 +01:00
Martin Diehl d8b4b7e0f5 != and == work componentwise 2021-01-03 21:52:19 +01:00
Martin Diehl f48a446353 compatible with scipy.spatial.transform.Rotation 
also introduced inplace variants and '/' as multiplicative inverse of
'*'
 2021-01-03 16:08:22 +01:00
Martin Diehl 98723cb0ed need to handle special case of Re() = 0 
ensuring that the real part is positive seems to be a good idea on first
sight, but it would be easier to simply acknowledge that qu = -qu
 2021-01-03 15:50:15 +01:00
Martin Diehl 80b8693a66 avoid adding to existing data, i.e. when reading a file 2021-01-03 12:10:39 +01:00
Martin Diehl 5f1399acc3 consistent behavior with other classes 
python dictionary operates in-place, so wrappers for out-of-place
behavior let it use like the other DAMASK classes
 2021-01-03 12:09:21 +01:00
Martin Diehl 9a278daa3f copy not needed 
YAML writer does not write out references anymore
 2021-01-03 12:07:02 +01:00
Martin Diehl 35ca1ffb0a consistent copy functionality 2021-01-03 12:03:40 +01:00
Martin Diehl 6fe1ff8e39 fixed test for rodrigues parametrization 
for angle close to 180deg, the sign of the axis does not matter
 2021-01-03 11:50:45 +01:00
Philip Eisenlohr da62daf15d added test for appending rotation lists; better check for type==list 2020-12-28 12:26:09 -05:00
Philip Eisenlohr 4796afdd92 fix for broken representation of no-rotation orientations and averaging weights 2020-12-28 12:10:21 -05:00
Philip Eisenlohr d8b57680ec raise NotImplemented when using R*b instead of R@b 2020-12-21 15:47:18 -05:00
Sharan Roongta 6cc78cb41e Merge branch 'misc-improvements' into 'development' 
Misc improvements

See merge request damask/DAMASK!302
 2020-12-18 15:19:04 +01:00
Martin Diehl 35f9861818 Fortran standard is 2018 
will not work for older compilers
 2020-12-18 15:19:04 +01:00
Martin Diehl 5fb0e4908b Examples reflect actual behavior 2020-12-18 07:09:05 +01:00
Philip Eisenlohr 403ac693da need to pass init argument to dict superclass 2020-12-17 18:08:55 -05:00
Philip Eisenlohr e11be7e600 preinitialize a ConfigMaterial object with 'constituents','homogenization','phase' keys 2020-12-17 10:49:33 -05:00