Martin Diehl
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4215ae3888
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rotation of matrix is defined in class
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2019-02-12 06:32:26 +01:00 |
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Martin Diehl
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e47c275e0c
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unknown encoding caused problem (on python2?)
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2019-02-12 06:18:21 +01:00 |
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Martin Diehl
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48b0307fab
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using new rotation class
cannot rotate matrices (3,3) and (3,3,3,3) at the moment
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2019-02-12 00:27:13 +01:00 |
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Martin Diehl
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7ee933b79d
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Rotation class
uses (and hides) Quaternion2. Should replace Quaternion class.
Orientation class should inherit from Rotation and adds symmetry.
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2019-02-11 23:50:02 +01:00 |
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Martin Diehl
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e931b716fd
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conversion routines from Marc de Graefs 3D rotation repository
Python version available on https://github.com/MarDiehl/3Drotations
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2019-02-11 23:15:19 +01:00 |
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Martin Diehl
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453f4556e5
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bracket was missing
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2019-02-04 00:12:27 +01:00 |
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Martin Diehl
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40740b831e
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reverted code removal
was not "just commented out" but served as documentation. now easier to
see
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2019-02-04 00:10:49 +01:00 |
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Martin Diehl
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5320803842
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bugfix: valid range for unit quaternion range is [-1,+1]
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2019-02-04 00:06:38 +01:00 |
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Martin Diehl
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9a4e9e62b6
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using new rotation class
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2019-02-01 20:28:51 +01:00 |
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Martin Diehl
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08009079ff
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avoiding numerical errors (if quaternion norm is > 1.)
use consistently "self" instead of "this"
function for misorientation
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2019-02-01 20:27:29 +01:00 |
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Martin Diehl
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878331e5e9
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this code was never used and is quite old
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2019-02-01 19:29:19 +01:00 |
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Martin Diehl
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feb87c7db8
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same name as in the python module
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2019-02-01 19:09:17 +01:00 |
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Martin Diehl
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407f94082f
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no need for orientation class at the moment
implement only if we need symmetry aware operations
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2019-02-01 16:52:42 +01:00 |
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Martin Diehl
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0c1c40f1de
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don't use euler angles any more
updated test
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2019-02-01 16:47:41 +01:00 |
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Philip Eisenlohr
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e6fe312f85
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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?
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2019-02-01 14:04:55 +01:00 |
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Martin Diehl
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06f67ce500
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orientations module was not compiled but is needed now
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2019-02-01 10:24:10 +01:00 |
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Martin Diehl
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11a509970b
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some comments
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2019-02-01 10:17:20 +01:00 |
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Martin Diehl
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9d25d677e6
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using new orientation class
not sure if transpose is needed for initialization
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2019-02-01 10:11:46 +01:00 |
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Martin Diehl
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53a95ea84f
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cleaned and documented
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2019-02-01 10:01:54 +01:00 |
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Martin Diehl
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17a682e883
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P/epsijk parameter has nothing to do with precision
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2019-02-01 08:53:57 +01:00 |
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Martin Diehl
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8a2689da0a
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documentation was for a lot of things that are not in here
setting constants without truncation
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2019-02-01 08:52:38 +01:00 |
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Martin Diehl
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a260bd2d2b
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Merge branch 'development' into 10-consistent-orientation-conversions
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2019-02-01 07:33:52 +01:00 |
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Test User
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d33c7a2803
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[skip ci] updated version information after successful test of v2.0.2-1667-g6b66563b
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2019-01-31 14:24:28 +01:00 |
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Martin Diehl
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6b66563be7
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Merge branch '46-simplification-of-crystallite-f90-NEW5' into development
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2019-01-31 11:40:23 +01:00 |
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Martin Diehl
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aabd98bee9
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no need to repeat the same code
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2019-01-31 09:14:02 +01:00 |
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Martin Diehl
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cbeb3dcff0
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use the same formulation for convergence every where
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2019-01-31 09:12:44 +01:00 |
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Martin Diehl
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5eaeb37ea4
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just polishing
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2019-01-31 06:04:49 +01:00 |
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Martin Diehl
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3b13a1af63
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calculated convergence criteria wrongly
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2019-01-30 17:04:58 +01:00 |
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Martin Diehl
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e1c2747393
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logic error for nonlocal
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2019-01-30 16:06:14 +01:00 |
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Martin Diehl
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fe88e5bf9c
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[skip ci] cleaning
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2019-01-30 14:52:12 +01:00 |
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Martin Diehl
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1d88057ce4
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avoid superflous variables
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2019-01-30 13:24:35 +01:00 |
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Martin Diehl
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64b89484d2
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logic better visible
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2019-01-30 13:19:05 +01:00 |
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Martin Diehl
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39e766bba0
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improved readability
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2019-01-30 12:36:02 +01:00 |
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Martin Diehl
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3dd21177a0
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no need to store relative residual pointwise
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2019-01-30 11:28:41 +01:00 |
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Martin Diehl
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fd069a96cd
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unifying name
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2019-01-30 10:51:24 +01:00 |
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Martin Diehl
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4ec0fd70a2
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only one variable needed
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2019-01-30 10:48:59 +01:00 |
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Martin Diehl
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0876787e3c
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avoid loops
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2019-01-30 10:46:53 +01:00 |
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Martin Diehl
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72c4f2b25f
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same names everywhere if possible
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2019-01-30 10:37:18 +01:00 |
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Martin Diehl
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0745d7ebc2
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convergence flag is set only later
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2019-01-30 10:33:57 +01:00 |
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Martin Diehl
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46be595ea8
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no need to store relative residual for all points
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2019-01-30 10:28:47 +01:00 |
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Martin Diehl
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31906e3ebd
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no need for 2 loops
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2019-01-30 09:21:50 +01:00 |
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Martin Diehl
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df6ec59f76
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use "s" for source
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2019-01-30 09:21:50 +01:00 |
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Martin Diehl
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ca7c105f36
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only one loop needed
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2019-01-30 09:21:50 +01:00 |
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Test User
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13af9fd3da
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[skip ci] updated version information after successful test of v2.0.2-1634-g370b23d5
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2019-01-30 09:04:55 +01:00 |
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Martin Diehl
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462b1b7c18
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sorted according to importance
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2019-01-30 06:47:36 +01:00 |
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Martin Diehl
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5908e3fd34
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wrong tolerance selection
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2019-01-30 06:44:26 +01:00 |
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Martin Diehl
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370b23d5da
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Merge branch '46-simplification-of-crystallite-f90-NEW5' into development
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2019-01-30 06:29:41 +01:00 |
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Martin Diehl
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77f1f45c23
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just figured out that RK4 integrator is totally broken
readable code helps ;)
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2019-01-30 00:17:04 +01:00 |
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Martin Diehl
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a09036ff48
|
on-the-fly initialization
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2019-01-30 00:11:10 +01:00 |
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Martin Diehl
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1a66f976b7
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common variable name
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2019-01-30 00:01:40 +01:00 |