Martin Diehl
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13e2b0725a
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useful as external function
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2020-02-29 12:20:40 +01:00 |
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Martin Diehl
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8700d7784c
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avoid global variables
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2020-02-29 11:10:23 +01:00 |
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Martin Diehl
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5350f3950f
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no need to store temporary variables
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2020-02-29 06:38:08 +01:00 |
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Martin Diehl
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2b855940f5
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not needed here
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2020-02-28 21:54:32 +01:00 |
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Martin Diehl
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e4fe152810
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no public parameters
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2020-02-28 21:44:40 +01:00 |
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Martin Diehl
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4c17963cd6
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cleavage systems should reflect lattice symmetry
also {100} cleavage planes need investigation
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2020-02-26 19:11:33 +01:00 |
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Martin Diehl
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7e30c10e82
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internal functions need no prefix and are located at the end
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2020-02-26 18:02:47 +01:00 |
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Martin Diehl
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33dc44e512
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2 space indentation
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2020-02-26 17:55:19 +01:00 |
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Martin Diehl
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eacf0cc894
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does not makes sense to have cleavage planes for isotropic
behavior can be recovered by using 'real' crystal structures and
suitable parameter (easiest for fcc/bcc)
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2020-02-26 17:50:29 +01:00 |
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Martin Diehl
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1d77af66c0
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preparing removal of initializeStructure
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2020-02-26 07:23:29 +01:00 |
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Martin Diehl
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4889e75e52
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clearer structure
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2020-02-25 17:32:49 +01:00 |
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Martin Diehl
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00e14b9861
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PGI does not allow sum in init for parameter
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2020-01-04 01:04:20 +01:00 |
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Martin Diehl
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4ebd89c040
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shape is known (no need for automatic allocation)
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2020-01-03 13:47:04 +01:00 |
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Martin Diehl
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a6ddbbd70c
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cleaning
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2020-01-03 12:40:25 +01:00 |
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Martin Diehl
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d81dc01ce0
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we consider indvidual systems, not families
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2020-01-03 12:14:20 +01:00 |
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Martin Diehl
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c919237998
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one loop is enough
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2020-01-02 21:02:37 +01:00 |
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Martin Diehl
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be319c5a83
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single source of truth
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2019-12-25 09:24:42 +01:00 |
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Martin Diehl
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34af10fac1
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using default string length
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2019-12-21 12:39:54 +01:00 |
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Sharan Roongta
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2c0264191e
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typo!
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2019-10-18 17:13:19 +02:00 |
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Martin Diehl
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b502300ffc
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get labels of slip and twin systems
this info is for HDF5 output
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2019-10-10 13:11:02 +02:00 |
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Martin Diehl
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1d51443607
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polishing/unifying names
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2019-10-10 12:26:45 +02:00 |
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Martin Diehl
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02d7ead3ab
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better readable
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2019-10-10 12:10:13 +02:00 |
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Martin Diehl
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cf0e279d93
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labels were not used
better use automated labeling of all systems
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2019-10-10 10:48:55 +02:00 |
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Martin Diehl
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2d7293726c
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more useful order
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2019-10-07 18:04:29 +02:00 |
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Martin Diehl
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a963f1d2c3
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better explicit
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2019-09-21 09:16:58 -07:00 |
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Martin Diehl
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09c1150e3c
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more error checking
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2019-09-20 18:16:08 -07:00 |
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Martin Diehl
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c1d1c83088
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better check input data
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2019-09-20 17:49:55 -07:00 |
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Martin Diehl
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a8b72c3f53
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even better to read
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2019-09-20 17:42:55 -07:00 |
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Martin Diehl
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7fe3e3b406
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easier to read
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2019-09-20 17:38:57 -07:00 |
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Martin Diehl
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ad83c8541d
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same names as in python
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2019-09-20 17:18:09 -07:00 |
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Martin Diehl
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7e6265b128
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make use of consistency checks
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2019-09-20 16:52:55 -07:00 |
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Martin Diehl
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42fba28fa1
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getting rid of conversions with unclear behavior
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2019-09-20 07:37:58 -07:00 |
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Martin Diehl
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08d2cdcb25
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forall is deprecated in Fortran 2018
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2019-09-19 14:24:13 -07:00 |
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Martin Diehl
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7fa979f800
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removed unused function
were based on/used for deprecated orientation handling
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2019-09-19 13:51:37 -07:00 |
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Martin Diehl
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be0d961954
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cleaning
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2019-09-19 13:40:03 -07:00 |
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Martin Diehl
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2fc66cff5b
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better readable
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2019-09-04 14:30:26 -07:00 |
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Martin Diehl
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951134d13f
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not needed
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2019-06-04 12:06:16 +02:00 |
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Martin Diehl
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01e3b646c2
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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
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2019-05-16 22:56:48 +02:00 |
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Martin Diehl
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1036c76ae0
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to transpose already when constructing the interaction matrix
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2019-04-13 00:46:27 +02:00 |
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Martin Diehl
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c3925b3497
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small polishing
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2019-04-07 14:47:21 +02:00 |
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Martin Diehl
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453eb538f7
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preparing for PGI compiler
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2019-04-03 16:24:15 +00:00 |
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Martin Diehl
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4604e65a42
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use matmul instead of hand-written functions
- performance is the same
- leaner code
- matmul works (was buggy a few years ago)
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2019-04-03 08:22:04 +02:00 |
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Martin Diehl
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1869f2cdcd
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string length handling in-line with other functions
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2019-03-26 06:27:13 +01:00 |
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Martin Diehl
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1ece0a1dfd
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better readable
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2019-03-12 09:36:54 +01:00 |
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Martin Diehl
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1df8b22e23
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clearer names
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2019-03-12 09:28:06 +01:00 |
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Martin Diehl
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18fe8c34ee
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fortran fast storage of interaction matrices
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2019-03-11 22:41:59 +01:00 |
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Martin Diehl
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0cdcc4de11
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no pInt any more
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2019-03-11 17:35:08 +01:00 |
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Martin Diehl
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7643d66654
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bugfix, avoid error
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2019-03-09 16:22:57 +00:00 |
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Martin Diehl
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55d55a156b
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following numpy syntax
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2019-03-09 16:19:56 +00:00 |
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Martin Diehl
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22a3596561
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simplified, trying to get rid of all public variables
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2019-03-09 15:12:59 +01:00 |