Commit Graph

11041 Commits

Author SHA1 Message Date
Martin Diehl 8aa13a55ce enable handling of connectivity that spreads over multiple lines
same code works also for old style tables, probably some flexibility
regarding non-CP elements is lacking ..
2020-01-12 00:58:12 +01:00
Martin Diehl 46cb787934 avoid HDF5 error when creating link twice 2020-01-12 00:55:00 +01:00
Martin Diehl 5bc1c98da7 use 0-based indexing for worldrank 2020-01-12 00:49:03 +01:00
Martin Diehl 1bb94f03b8 polishing (prospector was complaining) 2020-01-12 00:21:14 +01:00
Martin Diehl ddd8027b8a autodetect string length 2020-01-12 00:10:42 +01:00
Martin Diehl 97ddd56540 avoid strange deformation gradients
otherwise, the test fails in a few cases (determinants were in the range
1e-5 to 1e16)
2020-01-11 23:44:11 +01:00
Martin Diehl d9afdaed16 using updated tests (no crystallite anymore) 2020-01-11 23:43:03 +01:00
Martin Diehl 3938f34978 Merge branch 'MiscImprovements' into MoreImprovements 2020-01-11 22:37:41 +01:00
Test User 8f99dd85ac [skip ci] updated version information after successful test of v2.0.3-1308-g612e8e34 2020-01-11 22:16:08 +01:00
Martin Diehl 2d9c25f8e5 Merge branch 'development' into MiscImprovements 2020-01-11 20:34:35 +01:00
Martin Diehl d4535dadb4 use American english 2020-01-11 20:33:29 +01:00
Martin Diehl 612e8e3431 Merge branch 'quaternion-code-unification' into 'development'
always using intrinsic init when assigning quaternions as output variables

See merge request damask/DAMASK!116
2020-01-11 20:00:41 +01:00
Philip Eisenlohr 300f1b7015 added options to return "natural" versions of asQ, asRodrig, and asAxisAngle 2020-01-11 11:36:22 -05:00
Martin Diehl ac112d2d36 tolerance needed for optimized code 2020-01-11 13:55:56 +01:00
Martin Diehl e762cb4dfd issue with gfortran < 9
the false branch of merge seems to be evaluated which results in a
signaling NaN
2020-01-11 12:36:35 +01:00
Martin Diehl 842666cc20 no overlap with Marc's code 2020-01-11 11:25:50 +01:00
Martin Diehl 3a6819f548 check for invalid operations 2020-01-11 05:19:15 +01:00
Martin Diehl f028519597 some facts from wikipedia as tests 2020-01-11 04:59:38 +01:00
Martin Diehl de95ca5906 inverse of a quaternion 2020-01-11 04:15:51 +01:00
Martin Diehl 115716b8c2 polishing/use existing functions 2020-01-11 03:58:12 +01:00
Martin Diehl c7180c3295 some more tests for quaternion operations 2020-01-11 03:50:17 +01:00
Martin Diehl aefd401e8c this is a quaternion class
it is meant to represent any quaternion, not only unit
quaternions/rotations that follow a specific convention. Need to check
in rotations.f90 where the homomorph should happen
2020-01-11 03:11:45 +01:00
Martin Diehl 79cafebffe following https://www.python.org/dev/peps/pep-0257/ 2020-01-11 03:08:39 +01:00
Philip Eisenlohr 3a08a8bbe2 always using intrinsic init when assigning quaternions as output variables 2020-01-10 12:16:18 -05:00
Martin Diehl 115a2552f8 4 newer versions are out 2020-01-10 03:19:39 +01:00
Martin Diehl 87c7a5d5a3 polishing 2020-01-10 02:11:19 +01:00
Martin Diehl 8f43f05437 stronger encapsulation 2020-01-10 01:45:00 +01:00
Martin Diehl 5d2802f6c9 no patches available at the moment 2020-01-10 01:36:48 +01:00
Martin Diehl 0771411cd8 group similar operations 2020-01-10 01:33:03 +01:00
Martin Diehl 7d2012f492 no need to exclude small values
no danger of division by zero
2020-01-10 01:29:35 +01:00
Martin Diehl 70e23fea93 polishing 2020-01-10 01:28:32 +01:00
Martin Diehl 09f42a3991 ang files might have more columns 2020-01-08 15:34:21 +01:00
Martin Diehl bd6f2a6b5c consistent string length 2020-01-04 19:01:36 +01:00
Martin Diehl 6b6ad52355 use variable string as return (no need for trim) 2020-01-04 18:53:55 +01:00
Martin Diehl 3999c0b630 is not used anymore (and IO_fixedXXXvalue seem to be superfluous) 2020-01-04 17:29:25 +01:00
Martin Diehl bd5f963260 polishing 2020-01-04 16:54:07 +01:00
Martin Diehl 6421a9db9a require implicit none 2020-01-04 16:15:11 +01:00
Martin Diehl 0898cc2605 PGI has problems with forall in this case 2020-01-04 03:18:51 +01:00
Martin Diehl 3d32ad47db some debug options for PGI 2020-01-04 03:13:25 +01:00
Martin Diehl d2a9946f83 PGI compiler has problems with norm2 or dEq 2020-01-04 01:54:19 +01:00
Martin Diehl 385085de73 correct names for numpy (differ from math) 2020-01-04 01:05:40 +01:00
Martin Diehl 00e14b9861 PGI does not allow sum in init for parameter 2020-01-04 01:04:20 +01:00
Martin Diehl e1b35be23a not used anymore 2020-01-03 15:41:46 +01:00
Martin Diehl e692118ec5 easier to use for single output label 2020-01-03 15:41:15 +01:00
Martin Diehl b5e4e42505 splitext includes leading dot 2020-01-03 14:44:31 +01:00
Martin Diehl 326e3d0824 polishing 2020-01-03 14:02:14 +01:00
Martin Diehl 886e111064 not needed 2020-01-03 13:53:23 +01:00
Martin Diehl 2975e46ca1 not needed 2020-01-03 13:52:06 +01:00
Martin Diehl 4ebd89c040 shape is known (no need for automatic allocation) 2020-01-03 13:47:04 +01:00
Martin Diehl a6ddbbd70c cleaning 2020-01-03 12:40:25 +01:00