Commit Graph

1255 Commits

Author SHA1 Message Date
Aritra Chakraborty 3a267dc7ff FFT-based gradient calculation of scalar or vector field data (sibling of addCurl and addDivergence) 2016-03-16 15:02:38 -04:00
Aritra Chakraborty ce26ad06da polishing and introduction of locally derived grid in FFT subroutine 2016-03-16 15:01:22 -04:00
Philip Eisenlohr 6197e839c9 fixed missing file extension when adding in-place 2016-03-15 14:52:10 -04:00
Martin Diehl f857353e16 Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development 2016-03-11 12:49:47 +01:00
Martin Diehl b0dedb8cbd =addOrientation can do the same (and more) 2016-03-09 19:02:28 +01:00
Philip Eisenlohr e9338200eb Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development 2016-03-09 12:28:52 -05:00
Philip Eisenlohr b933359f17 clarified text of error message complaining about wrong input dimension 2016-03-09 12:28:36 -05:00
Philip Eisenlohr 4dfd59a9e2 output complete microstructure and texture info instead of limiting to grainIDs used in geometry 2016-03-07 22:15:40 -05:00
Martin Diehl f13ba71f6e fixed typo 2016-03-04 17:24:13 +01:00
Martin Diehl 48233d2767 missing variable 2016-03-03 14:58:04 +01:00
Martin Diehl a51f2a29f6 cleaning 2016-03-03 14:53:55 +01:00
Martin Diehl 76a0a93c42 removed unneeded variables, fixed docstrings. missing variable jc in Barlat1989 from 46c33b0 2016-03-03 14:52:47 +01:00
Martin Diehl 3ff3bb1a5b pre processing finished 2016-03-03 14:44:51 +01:00
Martin Diehl 93d7643875 no long lines anymore and prospector is also happy 2016-03-03 14:44:29 +01:00
Martin Diehl 9fa49b8584 vtk files, mainly removed from vtk import * 2016-03-02 13:52:33 +01:00
Martin Diehl f7fedc4744 next bunch of accepted scripts 2016-03-02 13:50:57 +01:00
Martin Diehl 3ed3073eff more... 2016-03-02 11:29:07 +01:00
Martin Diehl e89923d6d3 next round 2016-03-02 11:11:20 +01:00
Martin Diehl 5d7e138a9b long line 2016-03-02 10:55:21 +01:00
Martin Diehl f77de7ac6e adjusting style (mainly long lines an "== None") 2016-03-02 10:52:24 +01:00
Martin Diehl c1dd5febd5 some more scripts passed 2016-03-01 22:27:21 +01:00
Martin Diehl 974b8cde41 some more syntax improvements 2016-03-01 22:13:57 +01:00
Martin Diehl 043f2faeb3 line too long 2016-03-01 21:59:59 +01:00
Martin Diehl 98476ea29c more improved scripts 2016-03-01 21:35:59 +01:00
Martin Diehl 9cfc27d295 line too long (132 lines max code, like Fortran, 159 including comments, Python standard) 2016-03-01 21:18:32 +01:00
Martin Diehl 80dc23d93d following "prospector -t pep8 -t pyflakes -t dodgy -t profile-validator -t pep257" 2016-03-01 21:11:43 +01:00
Martin Diehl e55d0ae3ca further attemps to make it conform with best python practice 2016-03-01 20:44:43 +01:00
Martin Diehl 6eb170bc07 still struggling with prospector 2016-03-01 19:37:31 +01:00
Martin Diehl 3b33d320b1 getting pyflakes to ignore 2016-03-01 19:06:00 +01:00
Martin Diehl 2a50c6bf86 using prospector --tool=dodgy --tool=pyflakes -M to find python flaws 2016-03-01 18:25:14 +01:00
Martin Diehl 7c9d344601 python files now report their version depending on VERSION file in $DAMASK_ROOT 2016-01-27 17:06:00 +00:00
Martin Diehl f693ead989 adding material.config to header 2015-12-28 16:36:26 +00:00
Martin Diehl c710709b1a example Makefile typically does not work, deleted 2015-12-15 14:34:03 +00:00
Martin Diehl 19ddbc9b21 fixed typo and simplified 2015-12-15 06:16:47 +00:00
Philip Eisenlohr 6de6b8b87f fixed wrong variable name when using pre-existing microstructures from table.
added switch to skip effort for tolerance == 0.
2015-12-09 14:13:19 +00:00
Martin Diehl d76fcb4be8 was giving wrong results 2015-12-05 21:34:39 +00:00
Martin Diehl 7eb7a4e8cd changed to use routine for symmetric matrices as ascii table cannot handle complex number anyway. further advantage: eigvals and eigvectors will be odered 2015-12-04 22:34:19 +00:00
Philip Eisenlohr 35202494c2 fixed issue caused by using -r twice as option label. 2015-12-04 04:33:23 +00:00
Philip Eisenlohr 784c78a3b0 removed defunct option to output labels as column vector. 2015-12-04 04:31:53 +00:00
Philip Eisenlohr 937634d703 added group shuffling (i.e. exchanging unique values) 2015-12-04 01:17:45 +00:00
Philip Eisenlohr 08014a7030 small polishing 2015-12-04 01:16:49 +00:00
Philip Eisenlohr 3fb1f02382 forgot $Id$ and line endings… 2015-12-03 22:33:38 +00:00
Philip Eisenlohr 2efc602854 Smooth geometry by selecting most frequent microstructure index within given stencil at each location. 2015-12-03 22:32:28 +00:00
Philip Eisenlohr 8f5c3b9ad7 small polishing. 2015-12-02 23:13:10 +00:00
Philip Eisenlohr 55b33e5597 added option “inplace” to directly modify VTK file instead of creating copy_added. 2015-12-02 23:10:14 +00:00
Martin Diehl f49091c952 addDeformedConfiguration without core module 2015-12-02 20:53:02 +00:00
Martin Diehl 6ecbd3ae56 makefile had problems with static flag, mentat spectral Box was still using table.croak 2015-12-02 20:02:19 +00:00
Martin Diehl 0ffcb7fdaf cleaning 2015-12-01 16:37:20 +00:00
Martin Diehl f61f87e6d0 updated reference results (visual impression much better now) for geom_fromTable and silenced verbose debug output per default since it's causing problems when piping to file 2015-11-30 16:22:59 +00:00
Philip Eisenlohr cee9a345b7 added option to label microstructure.
updated to most recent asciitable/damask.util infrastructure.
2015-11-20 16:30:55 +00:00
Philip Eisenlohr 0db4a7fad0 added debug messages.
added background message for estimated time (+ grain info).
fixed functionality—finally works as intended (lump orientations within threshold).
2015-11-20 16:27:57 +00:00
Martin Diehl 40c2a5dd6d differentiate name for undeformed and deformed coordinates makes sense. Still not happy with the naming though 2015-11-20 15:58:32 +00:00
Martin Diehl 24382ed827 unified options to enable automated parsing for documentation 2015-11-16 10:52:56 +00:00
Martin Diehl 1336c8d0e6 now using default 2D output for geometry 2015-11-16 09:54:39 +00:00
Martin Diehl 302178ebb4 some trouble since clean was already in PETSc rules 2015-11-14 09:47:18 +00:00
Philip Eisenlohr 4c51c15795 changed option to —coordinates.
gracefully extend points to be 3D.
2015-11-14 01:52:31 +00:00
Martin Diehl 4b85941a94 some comments 2015-11-11 19:51:34 +00:00
Martin Diehl 4ca566efa8 geom_rotate: rotates a geometry 2015-11-11 19:51:17 +00:00
Philip Eisenlohr 2c9f9981e2 polishing of addRectiliearGridData.
subsumed functionality of addVoxelgridData into it.
2015-11-10 01:49:32 +00:00
Philip Eisenlohr 434bf2413e simplified if—else with a = b if c else d 2015-11-10 01:35:26 +00:00
Philip Eisenlohr ccf7530121 added output selection “rodrigues” 2015-11-10 01:34:10 +00:00
Chen Zhang fe1dbf2ea0 output file name now contains both position and mode.
e.g. ${prefix}_ipinitialcoord(point).vtr
2015-11-03 21:44:36 +00:00
Philip Eisenlohr ad06fc1a77 fixed buggy mapIncremental behavior for anything else than averaging (the standard case luckily…) 2015-10-27 20:16:24 +00:00
Martin Diehl 072be9c1bb help now working if no mentat release present.
improved style
2015-10-26 19:34:44 +00:00
Martin Diehl 41f1994569 new style and test for grain growth 2015-10-26 17:59:36 +00:00
Martin Diehl ebf20f2ebc unified style and other minor improvements 2015-10-15 19:51:27 +00:00
Martin Diehl e72ae63873 geom canvas crashed for some parameters, now giving error message. table class now handles dismiss correctly 2015-10-14 21:35:56 +00:00
Martin Diehl dd0167821f corrected reporting and convergence check 2015-10-14 20:33:22 +00:00
Martin Diehl bdfd9c69bb simplified dimension handling 2015-10-14 18:45:33 +00:00
Martin Diehl 46564d3df8 commenting and introducing functions for regulary used code 2015-10-14 18:40:02 +00:00
Martin Diehl 180d4625c1 trying to simplify 2015-10-13 21:00:12 +00:00
Martin Diehl 8fac635c15 made hybridIA stuff working again 2015-10-13 17:02:07 +00:00
Martin Diehl f1482a2af4 fixed buggy behavior in case of non unit-sized geometry 2015-10-12 18:10:26 +00:00
Aritra Chakraborty 723f135177 can now handle tiling of values (scalar [string,number] spread out to vector and such) 2015-10-09 14:22:41 +00:00
Philip Eisenlohr 196afb9b31 adopted change in named argument (strict -> SST) for disorientation 2015-10-09 13:06:51 +00:00
Martin Diehl fc9d290339 unified structure and names, added test for vtk{point/voxel}cloud 2015-10-09 11:24:26 +00:00
Martin Diehl 8fe443d068 clearer naming 2015-10-09 06:26:18 +00:00
Martin Diehl 61090c955d removed code doubling 2015-10-09 05:51:58 +00:00
Martin Diehl 6d74cbf374 simpliefied scripts for vtk generation and introduce simple test to check if they run 2015-10-08 21:30:33 +00:00
Martin Diehl fd04e0763b legacy code geom... can be achieved by combining voronoi tesselation and geom_rescale, for ipfs can be plotted from ascii table with matlab 2015-10-08 17:41:35 +00:00
Martin Diehl 127c03c525 unneeded module 2015-10-06 19:29:32 +00:00
Martin Diehl 1bd8167445 requires core module and is most likely not used.
When needed, a Complete, lean redesign is simpler than updating to current coding style
2015-10-06 18:11:58 +00:00
Martin Diehl f014cef043 improved performance for non-weighted Voronoi Tessellation 2015-10-06 18:03:06 +00:00
Aritra Chakraborty 22048cb546 fixed a bug 2015-10-02 01:59:59 +00:00
Philip Eisenlohr 2c6a6f6530 fixed bug.
introduced possibility for poke bounding box in all dimensions.
2015-10-02 00:21:23 +00:00
Philip Eisenlohr a2a7664e8e default to 0–1 for z range 2015-09-29 22:35:57 +00:00
Philip Eisenlohr 21bcafe3e4 seeds coordinates now rescaled to proper box size. 2015-09-29 22:27:46 +00:00
Philip Eisenlohr 863fe5ddf0 needs modules “math” and “random” for user-supplied conditions…
(do not remove through pyflakes—shall we introduce dummy code to keep the modules “active”?)
2015-09-29 22:27:07 +00:00
Harsha Phukan 202ee00049 Eliminated redundant searches for similar orientations in neighboring points…speeds up script by 2 orders of magnitude 2015-09-28 19:03:24 +00:00
Martin Diehl 55dc2b419a warn if unexpected file size is encoutered 2015-09-24 17:07:27 +00:00
Martin Diehl 4ead24a134 more tests 2015-09-24 16:52:58 +00:00
Martin Diehl f4c53e0be8 removed warnings by pyflakes, implemented new croak functionality 2015-09-24 15:34:27 +00:00
Martin Diehl e1157126bc cleaned with pyflakes, added test for seed generation 2015-09-24 13:21:44 +00:00
Martin Diehl f4d4a8e1ec adopted philips changes for reporting, using pyflakes to clean up 2015-09-24 09:24:42 +00:00
Tias Maiti 3c901e5549 added option for Euler angle output in degrees 2015-09-23 23:05:28 +00:00
Chen Zhang 3fa0312087 update usage of asciitable to new interface 2015-09-23 19:20:18 +00:00
Martin Diehl 42ac7902f7 indents wrong in fortran, seeds_fromDistribution bugfix and using ASCII table facilities 2015-09-20 21:03:10 +00:00
Martin Diehl 666b438e6a using ASCII table 2015-09-18 16:12:27 +00:00
Martin Diehl 6a3a0f3859 allow asciitable to use file handle instead of string (following e.g. numpy.genfromtxt) 2015-09-16 19:44:11 +00:00
Harsha Phukan fb48719283 fixed critical bugs 2015-09-15 19:02:59 +00:00
Martin Diehl 6f20651250 copy and paste error and new interface for test 2015-09-12 19:29:34 +00:00
Aritra Chakraborty 6683c1fb73 fixed a bug 2015-09-12 16:34:31 +00:00
Martin Diehl 0c7f4e690a fixed reference, still not 100% sure if everything is correct, but apparently the test never run 2015-09-12 16:30:28 +00:00
Martin Diehl c53bf02fea changed back to old behavior 2015-09-11 15:38:03 +00:00
Martin Diehl 5f9fae1b75 simplified reporting using "emph" 2015-09-11 12:55:43 +00:00
Philip Eisenlohr c69e7ec149 switched conjugation to apply to symmetric equivalents instead of incoming quaternion.
passing-down of degree option handled directly.
2015-09-09 22:43:56 +00:00
Philip Eisenlohr e0d5cef047 Script to merge multiple ASCIItables. Stops at end of shortest one. 2015-09-09 22:22:29 +00:00
Martin Diehl 70f906a2c4 follow new syntax and bugfix, marc 2014 is default 2015-09-09 16:45:49 +00:00
Tias Maiti c9dcb41bac fixed sorting logic to respect numerical values of vector data (i.e. 1,2,3,….,10,11,… instead of 10,11,12,1,2,…) 2015-09-08 23:55:44 +00:00
Martin Diehl 1c164574ac more fixes following new possibilities of ascii table 2015-09-08 19:42:14 +00:00
Martin Diehl 4e9b27b0ce failure in last commit, using standard keyword eulerangles instead of eulers 2015-09-08 18:48:58 +00:00
Noriki Fujita c2d27d56fa updated to new ASCII table style 2015-09-08 15:26:40 +00:00
Noriki Fujita 9a2c49ff50 corrected label header 2015-09-08 13:45:46 +00:00
Martin Diehl dad0fdfb85 still needed 2015-09-05 14:59:52 +00:00
Martin Diehl 45a3568b40 bugfix for last commit 2015-09-05 14:46:57 +00:00
Martin Diehl cf90b764f8 calculation was for nyquist freq not fully correct.
See Notes on FFT-based differentiation
Steven G. Johnson, MIT Applied Mathematics
Created April, 2011, updated May 4, 2011:
2015-09-05 11:51:36 +00:00
Martin Diehl 08f8746182 made some more scripts working again 2015-08-31 21:22:44 +00:00
Philip Eisenlohr 8ff79e1eb0 NaN now considered transparent 2015-08-31 17:41:00 +00:00
Philip Eisenlohr 8f79744f2c now works with (rounded) floating point numbers as mapping indices 2015-08-31 16:01:11 +00:00
Martin Diehl 6100185855 switch to new ASCII table class was buggy, using damask.util.emph 2015-08-31 11:00:45 +00:00
Aritra Chakraborty 115518a2c8 minor changes in commit and setting the script ID properly 2015-08-29 15:10:43 +00:00
Aritra Chakraborty cff6307779 Update existing value(s) to expression(s) respecting condition. 2015-08-29 00:54:45 +00:00
Chen Zhang b4768013a0 fix output error in output geom file. 2015-08-26 16:39:33 +00:00
Philip Eisenlohr d8afe9be23 Add scalars, vectors, and/or an RGB tuple from an ASCIItable to existing VTK rectilinear grid (.vtr/.vtk). 2015-08-25 00:39:37 +00:00
Aritra Chakraborty cec6d7d220 for generating rectilinear grid of either cell type or point type from ASCII table. 2015-08-24 20:48:50 +00:00
Philip Eisenlohr 7961b486cb now compatible with updated Orientation.disorientation() output, i.e., select item [0] (the quaternion). 2015-08-24 14:20:09 +00:00
Philip Eisenlohr c215139ce1 now works with recent changes of ASCIItable and with STDIN to STDOUT. 2015-08-24 14:01:24 +00:00
Philip Eisenlohr afc88c7029 now works with recent changes of ASCIItable. 2015-08-24 13:42:29 +00:00
Philip Eisenlohr 38992fdc37 now use outsourced damask.util methods 2015-08-23 23:19:40 +00:00
Philip Eisenlohr 00b8660203 redundant.
functionality available in “geom_fromTable”…
2015-08-20 19:46:11 +00:00
Philip Eisenlohr c85306257d redundant.
improved functionality now via “ang_toTable” and “geom_fromTable”…
2015-08-20 19:44:17 +00:00
Philip Eisenlohr 63d5506388 adopting further simplifications provided through ASCIItable class. 2015-08-20 19:42:05 +00:00
Philip Eisenlohr 9439cf7278 add cumulative (first to current) values of given labels to table 2015-08-20 19:40:45 +00:00
Philip Eisenlohr 05a8124d82 simplified rescaling interpretation 2015-08-19 18:30:50 +00:00
Martin Diehl 2a13d78196 did not run 2015-08-18 17:24:15 +00:00
Martin Diehl 324c5b36d3 restructured to get help even without mentat release 2015-08-18 16:39:47 +00:00
Philip Eisenlohr 70daa8663f adoption of new ASCIItable API 2015-08-18 14:37:32 +00:00
Martin Diehl ca1fe6bb82 updated to new ASCII table style 2015-08-18 07:56:03 +00:00
Tias Maiti d0b75b5a10 fixed table.croak error in last commit 2015-08-18 04:41:36 +00:00
Tias Maiti befd6aa7ff fixed stderr output (croaking..) as per new ASCII table style 2015-08-18 04:33:45 +00:00
Tias Maiti 419a612d0e updated to new ASCII table style 2015-08-18 04:32:19 +00:00
Aritra Chakraborty ac7f443595 adopted new ASCIItable API 2015-08-13 21:25:08 +00:00
Martin Diehl 7ca1e77495 bug fixing 2015-08-13 08:32:09 +00:00
Philip Eisenlohr f982f42839 convert TSL/EDAX ang file format to proper ASCIItable. 2015-08-12 22:14:19 +00:00
Philip Eisenlohr 1976cf44c1 fixed os.path.splitext bug when using STDIN input 2015-08-12 21:56:37 +00:00
Philip Eisenlohr 3e65c324de adopted changes in ASCIItable API 2015-08-12 21:52:33 +00:00
Philip Eisenlohr dfbd2fd013 fixed bug for STDIN processing 2015-08-12 21:28:07 +00:00
Martin Diehl 1149053c61 updated to new ASCII table style 2015-08-12 20:59:10 +00:00
Philip Eisenlohr 9ee49b2c3b adopted recent changes to API in ASCIItable.
removed Voronoi method from core module.
fixed buggy Laguerre tessellation (wrong seed scaling, wrong x,y,z order)
2015-08-12 20:55:53 +00:00
Philip Eisenlohr 8217fdb115 adopted recent changes to API in ASCIItable. 2015-08-12 18:56:40 +00:00
Martin Diehl 31a6ac328d adjusted to new ASCII table style and bugfix 2015-08-12 18:53:39 +00:00
Philip Eisenlohr cd70ec5a38 adopted recent changes to API in ASCIItable. 2015-08-12 18:43:11 +00:00
Philip Eisenlohr cd9a802a2b adoption of recent API change in ASCIItable. 2015-08-12 18:09:40 +00:00
Philip Eisenlohr 5dad5df588 adoption of recent API change in ASCIItable. 2015-08-12 17:47:38 +00:00
Philip Eisenlohr 3097c87bea adoption of recent API change in ASCIItable. 2015-08-12 17:43:49 +00:00
Martin Diehl 35863e0229 fixed averageDown and made it's test running 2015-08-12 13:43:05 +00:00
Martin Diehl bceeb0964c corrected calculation of expected file size for legacy files beyond the 4 GB limit 2015-08-10 18:48:48 +00:00
Tias Maiti 126cea24ce fixed syntax and undefined variable calling errors 2015-08-09 22:12:49 +00:00
Philip Eisenlohr 57dfa6a87e added fall-back to non-multithreading execution when using only single CPU. 2015-08-08 21:43:21 +00:00
Philip Eisenlohr 31f6d22d89 added option (force) to override selective seeding check. 2015-08-08 20:20:53 +00:00
Philip Eisenlohr 889a5807bb more conservative (and probably appropriate) variance default for Laguerre tessellations: 1.0 —> 0.1 2015-08-08 20:12:26 +00:00
Philip Eisenlohr bbeb210708 functionality now provided by more general “geom_fromImage” 2015-08-07 22:16:40 +00:00
Philip Eisenlohr 9729c03c00 removed obsolete code. added croak about number of cpus used. 2015-08-07 22:15:24 +00:00
Philip Eisenlohr a4772343b0 adopted new ASCIItable API. some polishing. 2015-08-07 22:08:54 +00:00
Tias Maiti 4ed56a8ba6 removed debugging print statements 2015-08-07 20:52:57 +00:00
Philip Eisenlohr d4e748b654 outsourced multiple repetitive functions into ASCIItable class.
changed ASCIItable API from file-handles to filenames.

adopted these changes in pre and post processing scripts.

unified behavior and look.

fixed bugs here and there.

improved functionality.
2015-08-07 19:03:26 +00:00
Tias Maiti de90a04374 assign indices from microstructure column if present for laguerre tessellation 2015-07-30 04:42:00 +00:00
Tias Maiti 599bb768ef index microstructure from 1 instead of zero for laguerre tessellation 2015-07-28 22:15:32 +00:00
Philip Eisenlohr 020a3e2634 superfluous since same can be (even more flexibly) accomplished with:
reLabel -l old -s old+tag
2015-07-26 00:41:42 +00:00
Philip Eisenlohr 0db33f21b5 superfluous since same can be accomplished with:
showTable -l -d (labels and data)
2015-07-26 00:39:32 +00:00
Haiming Zhang b69a422529 Generate the geometry description of a directional non-equiaxed grain structure, e.g., RVE cutted from a cold-rolling sheet. '--reduct' specifies the thickness reduction after rolling, and '-n' specified the number of samples cutted, e.g., n=5, then five samples will be cutted from the sheet along theta = 0 (the rolling direction), theta = 22.5, theta = 45, theta = 67.5, and theta = 90 (the transversal direction). 2015-07-24 14:12:10 +00:00
Chen Zhang 657ed7ed35 group voxels/pts by orientation and position, require spicy. 2015-07-24 13:30:33 +00:00
Philip Eisenlohr fc0e29c45b removed erroneous rescaling of Laguerre weights. 2015-07-22 22:34:40 +00:00
Haiming Zhang b15f68905f fig a bug. 2015-07-21 15:38:12 +00:00
Haiming Zhang 331a4c5775 add the number of the re-constructed orientation into the name of output files. 2015-07-18 17:25:05 +00:00
Philip Eisenlohr e08b7bd02e forgot to rescale transparency mask by pixelsizes. 2015-07-16 22:34:26 +00:00
Tias Maiti 3c9d6df889 fixed typo in last commit 2015-07-15 18:15:39 +00:00
Tias Maiti 6ebc490207 fixed broken functionality by adopting new ASCIItable class output for data_readArray(). 2015-07-15 16:57:03 +00:00
Philip Eisenlohr d676fdc1ce fixed default behavior of symmetry. used to advertise having cubic symmetry but was using []. 2015-07-10 16:58:30 +00:00
Philip Eisenlohr dce0501358 script to rename labels in an ASCIItable 2015-07-10 16:28:01 +00:00
Philip Eisenlohr f8658ffea1 added “gap” value to render pieces of resulting image transparent. 2015-07-07 14:53:55 +00:00
Philip Eisenlohr 812d17f91c streamlined column processing based on recently introduced asciitable functionality. 2015-07-01 15:48:34 +00:00
Martin Diehl ef243d3e19 added references 2015-06-30 14:52:48 +00:00
Haiming Zhang 61e3987bfa extract the deformation anisotropic coefficients (r values) and strength anisotropic coefficients (normalized yield stress) automatically. 2015-06-29 15:57:31 +00:00
Philip Eisenlohr 47249bb52a added possibility to scale deformation fluctuation field. 2015-06-29 09:44:49 +00:00
Philip Eisenlohr fcdd80bba3 switched order of command line options to make consequence of “degrees” switch more clear, i.e., it affects both the tolerance and Euler angles… 2015-06-29 09:40:44 +00:00
Philip Eisenlohr 129026662c fixed small bugs.
modernized file treatment.
improved Laguerre speed by a factor of 2 due to precalculating the squared weights.
2015-06-27 08:41:08 +00:00
Haiming Zhang 088299daf2 fix the bug in the calculation of RMSD, replace N with sqrt(N). 2015-06-25 12:41:26 +00:00
Philip Eisenlohr e310763c52 Novel script to generate geometry description and material configuration from position, phase, and orientation data in an ASCIItable.
Can deal with phase-specific lattice symmetry, condenses orientations within a given angular threshold, and might be used in lieu of geom_fromANG when replacing the ANG header.
2015-06-21 11:56:05 +00:00
Philip Eisenlohr 9b1f16e99e report data range.
gracefully deal with constant field (below 1e-8 noise).
2015-06-19 11:36:21 +00:00
Tias Maiti acad1246f3 fixed wrong variable name for quaternions as rotation options 2015-06-19 04:38:00 +00:00
Tias Maiti 94423cc7ac added scriptID line “ removed during last commit” 2015-06-17 19:47:50 +00:00
Tias Maiti 012c830eff removed writing of debugging statement to final output 2015-06-17 19:44:01 +00:00
Philip Eisenlohr e440305532 streamlined ASCIItable error checking. 2015-06-17 06:52:43 +00:00
Philip Eisenlohr 5cc7b60a88 simplified processing of ASCIItables by utilizing the improved class methods.
modernized file looping.
2015-06-16 17:21:24 +00:00
Philip Eisenlohr d57c7568dd simplified processing of ASCIItables by utilizing the improved class methods.
modernized file looping.
updated help.
2015-06-16 05:42:11 +00:00
Philip Eisenlohr c089ff9256 now with $ID$ and correct line endings… 2015-06-15 18:13:06 +00:00
Philip Eisenlohr 6086baba52 Generate PNG image from scalar data on grid deformed by (periodic) deformation gradient. 2015-06-15 18:12:38 +00:00
Luv Sharma a5b3e9d64c typos fixed 2015-06-14 05:51:53 +00:00
Philip Eisenlohr 37792f67df automatically figure dimension of labels to tag. 2015-06-13 11:55:20 +00:00