5b104417a9
polishing
2020-09-15 19:36:21 +02:00
5b83c8ad3c
use 'error stop'
...
- does not require IO
- prints stack trace
2020-09-13 12:09:32 +02:00
dbca47f113
better handling of corner cases
...
copy and paste from python code
2020-07-13 12:38:21 +02:00
d4efadb333
should be availabe outside of this module
2020-06-21 10:03:52 +02:00
ae20ab8d42
more reasonable name
2020-05-16 17:05:03 +02:00
e06251e53e
proper doxygen style
2020-04-19 14:20:34 +02:00
33aaa94865
use centralized (and tested) funtionality
2020-03-14 17:29:08 +01:00
18ccc49d6f
avoid duplicated public/private statements
...
variables should be private
2020-02-29 15:15:41 +01:00
cda1f4acab
more tests
...
failed unitTests report consistently with "internal error"
2020-01-26 20:53:13 +01:00
d722c6db4a
clear separation between OO and imperative arguments
2020-01-14 11:52:22 +01:00
ac112d2d36
tolerance needed for optimized code
2020-01-11 13:55:56 +01:00
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
842666cc20
no overlap with Marc's code
2020-01-11 11:25:50 +01:00
3a6819f548
check for invalid operations
2020-01-11 05:19:15 +01:00
f028519597
some facts from wikipedia as tests
2020-01-11 04:59:38 +01:00
de95ca5906
inverse of a quaternion
2020-01-11 04:15:51 +01:00
115716b8c2
polishing/use existing functions
2020-01-11 03:58:12 +01:00
c7180c3295
some more tests for quaternion operations
2020-01-11 03:50:17 +01:00
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
79cafebffe
following https://www.python.org/dev/peps/pep-0257/
2020-01-11 03:08:39 +01:00
3a08a8bbe2
always using intrinsic init when assigning quaternions as output variables
2020-01-10 12:16:18 -05:00
78344c01ac
avoid floating point comparison
2019-09-23 05:37:36 -07:00
da15ff85f3
tests now operational
2019-09-23 00:11:45 -07:00
bbb2441cc2
preparing more tests
2019-09-22 22:08:19 -07:00
40099fd581
typo
2019-09-22 17:46:37 -07:00
6b5b0fae22
mixed up real and aimag part in quaternion
...
+ some tests
2019-09-22 12:10:39 -07:00
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
be0d961954
cleaning
2019-09-19 13:40:03 -07:00
0db4264265
cleaning
2019-05-28 09:28:15 +02:00
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
ffdd3955a3
implicit none is not needed
2019-04-13 00:44:00 +02:00
453eb538f7
preparing for PGI compiler
2019-04-03 16:24:15 +00:00
3887d5631a
handling of PGI compiler was to cumbersome
2019-04-03 13:04:03 +02:00
96c4599dc7
norm2 is (yet) not available in PGI
2019-03-10 10:05:47 +01:00
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
feb87c7db8
same name as in the python module
2019-02-01 19:09:17 +01:00
11a509970b
some comments
2019-02-01 10:17:20 +01:00
53a95ea84f
cleaned and documented
2019-02-01 10:01:54 +01:00
17a682e883
P/epsijk parameter has nothing to do with precision
2019-02-01 08:53:57 +01:00
5cdd603671
dummy orientations module
...
needs to be extendend to include symmetry
2018-12-08 11:40:27 +01:00
40d38ebf55
added rotation conversions
...
modified versions from 3Drotations code (available on GitHub) by Marc De Graef
2018-12-08 08:02:55 +01:00
Martin Diehl