Commit Graph

8193 Commits

Author SHA1 Message Date
Martin Diehl 453f4556e5 bracket was missing 2019-02-04 00:12:27 +01:00
Martin Diehl 40740b831e reverted code removal
was not "just commented out" but served as documentation. now easier to
see
2019-02-04 00:10:49 +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 9a4e9e62b6 using new rotation class 2019-02-01 20:28:51 +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
Martin Diehl 878331e5e9 this code was never used and is quite old 2019-02-01 19:29:19 +01:00
Martin Diehl feb87c7db8 same name as in the python module 2019-02-01 19:09:17 +01:00
Martin Diehl 407f94082f no need for orientation class at the moment
implement only if we need symmetry aware operations
2019-02-01 16:52:42 +01:00
Martin Diehl 0c1c40f1de don't use euler angles any more
updated test
2019-02-01 16:47:41 +01:00
Philip Eisenlohr e6fe312f85 Corrected documented value for P (= -1!). Instead of repeating the assignment P=-1 in multiple internal functions, it might be advisable to define a class-wide parameter? 2019-02-01 14:04:55 +01:00
Martin Diehl 06f67ce500 orientations module was not compiled but is needed now 2019-02-01 10:24:10 +01:00
Martin Diehl 11a509970b some comments 2019-02-01 10:17:20 +01:00
Martin Diehl 9d25d677e6 using new orientation class
not sure if transpose is needed for initialization
2019-02-01 10:11:46 +01:00
Martin Diehl 53a95ea84f cleaned and documented 2019-02-01 10:01:54 +01:00
Martin Diehl 17a682e883 P/epsijk parameter has nothing to do with precision 2019-02-01 08:53:57 +01:00
Martin Diehl 8a2689da0a documentation was for a lot of things that are not in here
setting constants without truncation
2019-02-01 08:52:38 +01:00
Martin Diehl a260bd2d2b Merge branch 'development' into 10-consistent-orientation-conversions 2019-02-01 07:33:52 +01:00
Test User d33c7a2803 [skip ci] updated version information after successful test of v2.0.2-1667-g6b66563b 2019-01-31 14:24:28 +01:00
Martin Diehl 6b66563be7 Merge branch '46-simplification-of-crystallite-f90-NEW5' into development 2019-01-31 11:40:23 +01:00
Martin Diehl aabd98bee9 no need to repeat the same code 2019-01-31 09:14:02 +01:00
Martin Diehl cbeb3dcff0 use the same formulation for convergence every where 2019-01-31 09:12:44 +01:00
Martin Diehl 5eaeb37ea4 just polishing 2019-01-31 06:04:49 +01:00
Martin Diehl 3b13a1af63 calculated convergence criteria wrongly 2019-01-30 17:04:58 +01:00
Martin Diehl e1c2747393 logic error for nonlocal 2019-01-30 16:06:14 +01:00
Martin Diehl fe88e5bf9c [skip ci] cleaning 2019-01-30 14:52:12 +01:00
Martin Diehl 1d88057ce4 avoid superflous variables 2019-01-30 13:24:35 +01:00
Martin Diehl 64b89484d2 logic better visible 2019-01-30 13:19:05 +01:00
Martin Diehl 39e766bba0 improved readability 2019-01-30 12:36:02 +01:00
Martin Diehl 3dd21177a0 no need to store relative residual pointwise 2019-01-30 11:28:41 +01:00
Martin Diehl fd069a96cd unifying name 2019-01-30 10:51:24 +01:00
Martin Diehl 4ec0fd70a2 only one variable needed 2019-01-30 10:48:59 +01:00
Martin Diehl 0876787e3c avoid loops 2019-01-30 10:46:53 +01:00
Martin Diehl 72c4f2b25f same names everywhere if possible 2019-01-30 10:37:18 +01:00
Martin Diehl 0745d7ebc2 convergence flag is set only later 2019-01-30 10:33:57 +01:00
Martin Diehl 46be595ea8 no need to store relative residual for all points 2019-01-30 10:28:47 +01:00
Martin Diehl 31906e3ebd no need for 2 loops 2019-01-30 09:21:50 +01:00
Martin Diehl df6ec59f76 use "s" for source 2019-01-30 09:21:50 +01:00
Martin Diehl ca7c105f36 only one loop needed 2019-01-30 09:21:50 +01:00
Test User 13af9fd3da [skip ci] updated version information after successful test of v2.0.2-1634-g370b23d5 2019-01-30 09:04:55 +01:00
Martin Diehl 462b1b7c18 sorted according to importance 2019-01-30 06:47:36 +01:00
Martin Diehl 5908e3fd34 wrong tolerance selection 2019-01-30 06:44:26 +01:00
Martin Diehl 370b23d5da Merge branch '46-simplification-of-crystallite-f90-NEW5' into development 2019-01-30 06:29:41 +01:00
Martin Diehl 77f1f45c23 just figured out that RK4 integrator is totally broken
readable code helps ;)
2019-01-30 00:17:04 +01:00
Martin Diehl a09036ff48 on-the-fly initialization 2019-01-30 00:11:10 +01:00
Martin Diehl 1a66f976b7 common variable name 2019-01-30 00:01:40 +01:00
Martin Diehl 6a3dac1df2 still improving readability 2019-01-29 23:45:41 +01:00
Martin Diehl bdd193fbd7 now readable (kind of) 2019-01-29 23:31:26 +01:00
Martin Diehl eade54a68f consistent variable names 2019-01-29 23:04:50 +01:00
Martin Diehl 1408d66c0c s is used for source 2019-01-29 23:02:59 +01:00
Martin Diehl 0be05b3ee1 one variable is enough 2019-01-29 22:46:21 +01:00