Commit Graph

14668 Commits

Author SHA1 Message Date
Martin Diehl f1051ec28f polishing 2022-01-21 23:34:42 +00:00
Test User 4b601a38e7 [skip ci] updated version information after successful test of v3.0.0-alpha5-457-g75040047c 2022-01-21 03:05:10 +01:00
Martin Diehl 75040047c9 Merge branch 'pythonic' into 'development'
Making fortran yaml more pythonic

Closes #106

See merge request damask/DAMASK!504
2022-01-20 23:45:47 +00:00
Sharan Roongta c2a822d8fd keys() function for dictionary as in Python.
Does not work for gfortran which fails with an ICE.
2022-01-20 23:45:47 +00:00
Test User 48f38e74d7 [skip ci] updated version information after successful test of v3.0.0-alpha5-454-gb64a603ef 2022-01-20 15:11:14 +01:00
Martin Diehl b64a603efc required after update of numpy to 1.22 2022-01-20 11:52:57 +00:00
Daniel Otto de Mentock 77f22318a8 Typehint improvements 2022-01-20 11:52:56 +00:00
Test User 6fb4320fc2 [skip ci] updated version information after successful test of v3.0.0-alpha5-451-g3fbf1459d 2022-01-19 17:02:22 +01:00
Sharan Roongta 3fbf1459d5 Merge branch 'misc-improvements' into 'development'
fixes for a few small glitches

See merge request damask/DAMASK!503
2022-01-19 12:57:16 +00:00
Martin Diehl c3b492c5da new PETSc version with backported fix for ML 2022-01-18 23:20:33 +01:00
Martin Diehl 632180d67e not needed 2022-01-18 14:27:47 +01:00
Martin Diehl 869fdc847a Merge branch 'development' into misc-improvements 2022-01-18 11:02:18 +01:00
Martin Diehl c5fd6a3677 random seed should contain some entropy
setting all elements to the same value does not make sense. Moreover,
negative values are allowed
2022-01-18 10:47:26 +01:00
Test User 4cd260881a [skip ci] updated version information after successful test of v3.0.0-alpha5-441-g8b5122f52 2022-01-17 23:52:17 +01:00
Philip Eisenlohr 8b5122f52a Merge branch 'physics-based-hex-interactions' into 'development'
Physics based hex interactions

See merge request damask/DAMASK!495
2022-01-17 15:24:05 +00:00
Sharan Roongta 40ee4d3dd1 Merge branch 'petsc-64bit-integer' into 'development'
support for PETSc with 64bit integers

See merge request damask/DAMASK!496
2022-01-17 09:16:39 +00:00
Franz Roters 1d2bbc8cd9 Merge branch 'dislotwin-fix-tangent' into 'development'
corrected tangent calculation for twinning and transformation

See merge request damask/DAMASK!492
2022-01-17 07:57:51 +00:00
Franz Roters f4979c6314 Merge branch '143_robust-update' into 'development'
more robust update of tested version

See merge request damask/DAMASK!500
2022-01-17 07:55:21 +00:00
Martin Diehl a545baebbf VTK polishing
avoid segmentation fault (also allows testing)
2022-01-16 19:23:12 +01:00
Martin Diehl 6657e5c4eb testing a few corner cases
behavior for __eq__ is now following python standard, comparing to wrong
class gives False
2022-01-15 13:22:15 +01:00
Martin Diehl a37178ddee handle case of -0.0
-0.0 < 0.0 ! false
so need sign to change direction for also for the corner case of -0.0
2022-01-15 12:28:39 +01:00
Martin Diehl d1cd125a5b direct array reversal, don't duplicate FFTW manual 2022-01-15 12:27:07 +01:00
Martin Diehl 6324ffcb9e more robust update of VERSION file
update version only if no push to development has occured in the
meantime.

Less error prone.  Very small change for race condition remains
2022-01-14 16:00:29 +01:00
Test User 6da3f0fa51 [skip ci] updated version information after successful test of v3.0.0-alpha5-389-ga000e477c 2022-01-14 07:24:12 +01:00
Philip Eisenlohr 2c054f2b38 use same hex-hex interaction documentation as webpage 2022-01-13 11:23:09 -05:00
Daniel Otto de Mentock a000e477cf Merge branch 'typehints_grid' into 'development'
added fist typehints for _grid module

See merge request damask/DAMASK!474
2022-01-13 16:21:19 +00:00
Philip Eisenlohr 45e33782e4 documentating more hex interactions 2022-01-13 10:42:05 -05:00
Martin Diehl 82dabe29c1 mesh: separate kind for DAMASK and PETSc integers 2022-01-13 16:30:42 +01:00
Philip Eisenlohr 4562f4262c add documentation to source code 2022-01-13 10:14:36 -05:00
Martin Diehl 29530da579 use correct kind of constants for calls to MPI/PETSc 2022-01-13 13:50:30 +01:00
Martin Diehl 91a3ea96ec final MPI-DAMASK integer kind decoupling
bugfix: set error for openMP-calucations
2022-01-13 13:21:44 +01:00
Martin Diehl d7dbb6ffc2 needs to be public for Marc 2022-01-13 12:03:22 +01:00
Martin Diehl a7417a7ad7 default integer, PETSc integer, and MPI integer might be different 2022-01-13 12:02:33 +01:00
Martin Diehl 64395d4b2b not needed anymore
setting precision is done via compiler flag. Theoretically, it would
work to simply use pI64 for the interface (hypela2 and uedinc) but
stupid common blocks would need to be adjusted as well
2022-01-13 10:26:08 +01:00
Martin Diehl a3a3388855 decouple DAMASK default integer from MPI default integer 2022-01-13 10:25:45 +01:00
Martin Diehl 1c46e7ea1a not needed 2022-01-13 08:30:46 +01:00
Martin Diehl 8223dc7fa7 polishing
MPI, HDF5, PETSc, and DAMASK might have different integer kinds ..
2022-01-13 08:17:31 +01:00
Martin Diehl 3fb5bd459c pInt leftovers 2022-01-13 07:44:15 +01:00
Martin Diehl 4727652856 default integer is set via a compiler flag 2022-01-13 07:37:38 +01:00
Martin Diehl 3acabcdc7f docstring adjustments 2022-01-12 23:57:21 +01:00
Test User 7410463067 [skip ci] updated version information after successful test of v3.0.0-alpha5-379-g731222d09 2022-01-12 23:41:05 +01:00
Martin Diehl 2c1231a806 using best practices from grid_filters 2022-01-12 23:06:48 +01:00
Martin Diehl 9a8e7c8445 Merge branch 'development' into typehints_grid 2022-01-12 19:53:35 +01:00
Martin Diehl fd3c18ea4d calculate global entry in 64 bit 2022-01-12 17:58:44 +01:00
Martin Diehl ae0eead748 write out mapping as 64 bit integer 2022-01-12 17:44:07 +01:00
Martin Diehl 18913bb94e autodetect datatype 2022-01-12 17:33:14 +01:00
Martin Diehl a87db2ba0b test for long long integer 2022-01-12 16:56:24 +01:00
Martin Diehl 4bfc814a53 Merge remote-tracking branch 'origin/development' into petsc-64bit-integer 2022-01-12 16:37:22 +01:00
Daniel Otto de Mentock 731222d099 Merge branch 'grid_filter-flexible-typehints' into 'development'
allow flexible arguments for 1D arguments

See merge request damask/DAMASK!494
2022-01-12 13:18:40 +00:00
Martin Diehl 410a515afc allow flexible arguments for 1D arguments 2022-01-12 13:18:38 +00:00