Karo Sedighiani
03aa6f9c80
Merge branch 'vectorize_rotation' into development
2020-04-14 19:34:11 +02:00
Martin Diehl
3bfa2d679c
simpler/correct logic for eu2om
2020-04-11 11:36:37 +02:00
Martin Diehl
a2e70612ff
interface checking for LAPACK
2020-04-10 12:52:27 +02:00
Martin Diehl
33aaa94865
use centralized (and tested) funtionality
2020-03-14 17:29:08 +01:00
Martin Diehl
59fe9d06b0
shortening
2020-01-29 22:53:19 +01:00
Martin Diehl
3f96c12e06
avoid code duplication
2020-01-29 11:09:57 +01:00
Martin Diehl
cda1f4acab
more tests
...
failed unitTests report consistently with "internal error"
2020-01-26 20:53:13 +01:00
Sharan Roongta
3d6ec6955f
Merge branch 'PGI-support' into development
2020-01-24 12:24:38 +01:00
Martin Diehl
9d1c1fdb92
enforce Re(q) > 0
2020-01-14 11:33:18 +01:00
Martin Diehl
d2a9946f83
PGI compiler has problems with norm2 or dEq
2020-01-04 01:54:19 +01:00
Martin Diehl
27483bafbc
non-existing value evaluates to 0 or 1
2019-12-21 11:52:33 +01:00
Martin Diehl
8a9d3f8d6d
avoid code duplication
2019-12-02 20:09:27 +01:00
Martin Diehl
be099e38c2
might be of use
2019-12-02 16:22:27 +01:00
Martin Diehl
fd3f8e2cc7
fixed precision even if compiler flag is not set
2019-09-29 15:59:10 -07:00
Martin Diehl
78344c01ac
avoid floating point comparison
2019-09-23 05:37:36 -07:00
Martin Diehl
0655ef2c90
small precision adjustments required
...
one in a Mio might have degenerated precision...
Also now finally testing core functionality
2019-09-22 21:58:18 -07:00
Martin Diehl
9fd65b0617
need to relax tolerance for case 3
2019-09-22 16:57:16 -07:00
Martin Diehl
d1566aa5bf
GNU 8 has issues with IEEE_infinite
...
errors occur when running aggressively optimized code. GNU 9.1 seems to
be ok
2019-09-22 16:05:41 -07:00
Martin Diehl
4ff292ba70
IEEE infinite causes problems with older GNU
2019-09-22 14:46:27 -07:00
Martin Diehl
171a93ca30
also small negative values cause problems
...
Logic differs from the original formulation now
2019-09-22 14:17:17 -07:00
Martin Diehl
6b5b0fae22
mixed up real and aimag part in quaternion
...
+ some tests
2019-09-22 12:10:39 -07:00
Martin Diehl
25c9bb1cd7
testing some corner cases
2019-09-22 11:29:34 -07:00
Martin Diehl
62174a8978
testing all conversions
...
using norm(Delta q) ensures that the quality of the conversion is
tested, not the numerical properties of any orientation representation.
2019-09-22 11:15:27 -07:00
Martin Diehl
6e5b9ca665
unused variables
2019-09-22 08:54:59 -07:00
Martin Diehl
372536d57e
unit test for rotation class
2019-09-22 06:53:03 -07:00
Martin Diehl
30afaf2a95
bugfic: Blocksize parameter was too small
2019-09-21 23:45:54 -07:00
Martin Diehl
44125f3f09
convenience function for symmetric 4th order tensors
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unfortunately, array size does not qualify to distinguish generics
2019-09-20 17:36:37 -07:00
Martin Diehl
ad83c8541d
same names as in python
2019-09-20 17:18:09 -07:00
Martin Diehl
ef4204da14
Merge branch 'MiscImprovements' of magit1.mpie.de:/damask/DAMASK into MiscImprovements
2019-09-20 16:48:50 -07:00
Martin Diehl
6c0e92d5c1
functionality to rotate 4-tensor
2019-09-20 16:47:44 -07:00
Martin Diehl
93c8aa8f75
bugfix: used uninitialized vector
2019-09-21 00:08:14 +02:00
Martin Diehl
7ff106a1fc
better readable
2019-09-20 08:45:23 -07:00
Martin Diehl
d69d57221d
consistent type handling and stronger encapsulation
...
components of quaternion are private now
qu is an array, not a quaterion (as in the python module). conceptually
cleaner because eu,ax,om, etc. are also plain array
2019-09-20 08:36:16 -07:00
Martin Diehl
76eaa9855f
correct type (pReal)
2019-09-20 06:57:39 -07:00
Martin Diehl
052ee10fcb
sanity checks as in python class
2019-09-20 06:53:49 -07:00
Martin Diehl
a70779965c
some helper functions for further transition
2019-09-19 22:50:30 -07:00
Martin Diehl
a94c104c75
using texture class
2019-09-19 19:14:37 -07:00
Martin Diehl
1b595b4864
initialize from Eulers (common case)
2019-06-12 15:58:21 +02:00
Martin Diehl
01e3b646c2
don't clutter the code with useless stuff
...
we only need to be more strict about prefixing
functions/subroutines/variables to see in which module they reside
2019-05-16 22:56:48 +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
5d23a61fb0
same order as in the python module
...
... and only one "implicit none"
2019-04-16 22:17:56 +02:00
Martin Diehl
4724e42b7f
fixed indentation
2019-04-03 13:11:18 +02:00
Martin Diehl
3887d5631a
handling of PGI compiler was to cumbersome
2019-04-03 13:04:03 +02:00
Martin Diehl
1fb1032127
no pInt
2019-03-11 22:58:11 +01:00
Martin Diehl
96c4599dc7
norm2 is (yet) not available in PGI
2019-03-10 10:05:47 +01:00
Martin Diehl
3b8b83fbd9
FLOAT is not defined anymore
2019-03-07 22:18:29 +01:00
Martin Diehl
453f4556e5
bracket was missing
2019-02-04 00:12:27 +01:00
Martin Diehl
5320803842
bugfix: valid range for unit quaternion range is [-1,+1]
2019-02-04 00:06:38 +01:00
Martin Diehl
08009079ff
avoiding numerical errors (if quaternion norm is > 1.)
...
use consistently "self" instead of "this"
function for misorientation
2019-02-01 20:27:29 +01:00