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DAMASK_EICMD
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88 Commits

Author SHA1 Message Date
Martin Diehl 0039ac9551 always add comment at beginning 
usually, comments are related to the file history
 2019-05-26 21:32:48 +02:00
Martin Diehl 7a500e77b1 not needed (DADF5 is the modern alternative) 2019-05-26 20:53:59 +02:00
Martin Diehl 07c9b8b8f0 avoiding unwanted changes 2019-05-26 20:28:19 +02:00
Martin Diehl feb2340935 self-reporting functionality for updating 2019-05-26 17:58:54 +02:00
Martin Diehl dcb79afc84 more user friendly errors 2019-05-26 12:03:21 +02:00
Martin Diehl be3513d1e0 polishing. 
python imports follow PEP8
 2019-05-26 09:49:56 +02:00
Martin Diehl 9f63d768de do not keep whitespaces 2019-05-25 13:48:38 +02:00
Martin Diehl 875643c363 same style 2019-05-25 10:24:45 +02:00
Martin Diehl 4788fc6046 making use of new class 
@philip: 1D arrangement needed?
 2019-05-25 08:37:02 +02:00
Martin Diehl cf374a04dc using new class 2019-05-25 08:21:00 +02:00
Martin Diehl 7b6003fb32 no need for numpy.loadtxt (not compatible with 'to' and 'of' compression 2019-05-25 08:17:51 +02:00
Martin Diehl 420abfa162 use new class 2019-05-24 22:34:27 +02:00
Martin Diehl f20c8fcffd easier generation and modificaton of grid geometries 
fits better than the general ASCII table class
 2019-05-24 22:30:25 +02:00
Philip Eisenlohr 4c7af713f1 added explicit method Rotation.fromBasis, which can treat real and reciprocal basis sets 2019-05-14 12:59:21 -04:00
Martin Diehl f3c77cde87 Merge branch 'development' into MiscImprovements 2019-05-06 16:16:39 +02:00
Martin Diehl 9b0d3def1d small changes suggested by Franz 2019-05-05 22:38:06 +02:00
Martin Diehl 39cc9e35ae Merge branch 'development' into orientation_with_averaging 2019-05-05 22:12:09 +02:00
Martin Diehl ebf01dee4f store grid/size at geometry group 
as outlined in the DAMASK results paper
 2019-05-03 06:46:22 +02:00
Martin Diehl b8bf329a74 Merge branch 'development' into MiscImprovements 2019-04-30 00:02:35 +02:00
Martin Diehl 327a8ab757 more details 2019-04-28 12:04:11 +02:00
Martin Diehl c72518e52b reflects current temp files 2019-04-28 07:22:12 +02:00
Martin Diehl a5c620379b tools to build a python wheel distribution 2019-04-26 20:54:58 +02:00
Martin Diehl 1ccc967544 enables auto include 2019-04-26 19:24:22 +02:00
Martin Diehl 1b9355327a WIP: preparing for PIP package 2019-04-26 19:08:59 +02:00
Martin Diehl 009a47ad72 make python package independent from rest of DAMASK 
https://packaging.python.org/guides/single-sourcing-package-version/
 2019-04-25 20:05:42 +02:00
Martin Diehl 64c9a367c0 always install post processing scripts into {$DAMASK_ROOT}/bin 
custom installation directions will be made available by more standard
approaches
 2019-04-25 07:21:42 +02:00
Martin Diehl 53f6a4e030 too specific 
- only works at MPIE
 2019-04-25 06:00:56 +02:00
Martin Diehl 1330730717 inFZ needs 'proper' Rodriques--Franck vector 2019-04-19 09:04:54 +02:00
Martin Diehl b97f10b6ff forgotten changes in last commit + fromRandom 2019-04-19 08:17:02 +02:00
Martin Diehl feca9fe0a0 Again changes to the return values. 
A python function with no return value returns 'None'
 2019-04-19 08:04:04 +02:00
Martin Diehl 9a43c2e4c5 fixed return values 
- homomorph, standardize, etc. are silent in-place operations (return
None)
- homomorphed, standardized, etc. are out-of place operations that
report
 2019-04-19 01:05:48 +02:00
Martin Diehl 25518df80c fixes to quaternion class 
- always store data as float (solves issues with truediv)
- fixed in-place multiplication and division
- consistent handling of "..ed()" functions
 2019-04-19 00:44:12 +02:00
Philip Eisenlohr 4183eeaeca [skip ci] disorientation may return full-fledged orientation obj and aux info, added rotation.standardize(d) 2019-04-18 18:06:00 -04:00
Martin Diehl c4f56703a4 proper definition of homomorph 2019-04-18 17:11:51 +02:00
Martin Diehl 7570b187e7 do explicit homomorphing 
only in cases when the underlying math cannot guarantee that the
resulting quaternion follows the convention
 2019-04-18 16:26:05 +02:00
Martin Diehl e8464814ae explicit is better than implicit 
- if the quaternion does not follow the convention, use
"fromQuaternion(acceptHomomorph=True)"
 2019-04-18 14:46:12 +02:00
Martin Diehl 71b0036323 return rotation as misorientation 2019-04-18 14:26:53 +02:00
Martin Diehl 481aac7952 misorientation calculation did not always follow convention 
- return homomorphed quaternion to ensure that real component is > 0
(equivalent to have axis angle limited to [0, pi]
 2019-04-18 13:46:58 +02:00
Martin Diehl b746b841f7 not needed 2019-04-18 12:04:36 +02:00
Martin Diehl 6b7fd6b7ea visualizing data from DADF5: first prototype 2019-04-18 11:58:17 +02:00
Martin Diehl 7177813710 adding data to geometry 2019-04-17 19:57:16 +02:00
Martin Diehl fdd5b93e7c avoid FPE exceptions 2019-04-17 15:19:41 +02:00
Martin Diehl a6e6db0559 more stable/robust conversions 2019-04-17 12:52:48 +02:00
Martin Diehl 079e683dd1 disorientation returns Orientation, not Rotation 2019-04-17 10:48:18 +02:00
Martin Diehl 3f8c16262e fixed import statement 
previous form only worked in python/damask folder
 2019-04-17 09:45:18 +02:00
Martin Diehl 8609eb6eb7 improved names and layout 2019-04-17 09:34:49 +02:00
Martin Diehl c7c6627dfb don't try to figure out the input 2019-04-17 08:49:26 +02:00
Martin Diehl fa18200447 quaternion is now in separate module 
avoid long modules with multiple, only loosely related classes
 2019-04-17 08:46:03 +02:00
Martin Diehl d842902a76 consistent ordering 
- qu, om, eu, ax, ro, ho, cu
 2019-04-16 21:47:29 +02:00
Martin Diehl 8eb1a35dfb first version of a library to parse HDF5 
- preliminarly called DADF5 (DAMASK HDF5)
- script to write (empty undeformed) geometries is also added
 2019-04-13 11:25:53 +02:00