Martin Diehl
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228398e787
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config follows structure
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2020-12-31 09:10:59 +01:00 |
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Martin Diehl
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1ac5465d65
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using central functionality
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2020-12-28 11:03:29 +01:00 |
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Martin Diehl
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c712332e87
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using consistent names for Bravais lattice in Fortran and Python
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2020-11-28 22:38:12 +01:00 |
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Sharan Roongta
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2157bf50cd
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mech --> mechanics
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2020-11-17 22:21:35 +01:00 |
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Martin Diehl
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cd7ada0da9
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use Fortran internals for error handling
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2020-11-11 20:09:14 +01:00 |
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Martin Diehl
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8e89452791
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not needed
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2020-11-11 13:59:37 +01:00 |
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Sharan Roongta
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7b761476e4
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under mech dictionary
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2020-11-03 00:48:16 +01:00 |
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Sharan Roongta
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40d28456af
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Merge branch 'development' into variableName=ParameterName
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2020-09-24 13:13:19 +02:00 |
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Sharan Roongta
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c72240323e
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applied to lattice variables
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2020-09-23 01:50:13 +02:00 |
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Martin Diehl
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41fbc58c1b
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standard conforming name
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2020-09-22 13:09:12 +02:00 |
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Martin Diehl
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63f9078f04
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don' hardcode output unit
replaced remaining write(6,..), flush(6) with write(OUTPUT_UNIT,...),
flush(OUTPUT_UNIT)
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2020-09-22 12:15:36 +02:00 |
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Martin Diehl
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797073b015
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print choses output unit automatically, no need to rely on 6
also shorter...
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2020-09-17 19:28:41 +02:00 |
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Martin Diehl
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316c5f7d20
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internal errors (do not depend on user input)
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2020-09-13 12:20:44 +02:00 |
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Martin Diehl
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5b83c8ad3c
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use 'error stop'
- does not require IO
- prints stack trace
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2020-09-13 12:09:32 +02:00 |
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Martin Diehl
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b499578a95
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prefix should be name of the module
poor substitute for namespace
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2020-09-13 10:39:17 +02:00 |
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Sharan Roongta
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7754a1ea56
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Restructuring for material.yaml
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2020-08-15 16:08:46 +02:00 |
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Martin Diehl
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ae20ab8d42
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more reasonable name
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2020-05-16 17:05:03 +02:00 |
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Martin Diehl
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1ccd3aab89
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suppress warnings
the compiler does not know that IO_error terminates the program
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2020-05-15 22:33:38 +02:00 |
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Martin Diehl
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5a4a7393b9
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statements belong together
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2020-04-28 19:17:34 +02:00 |
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Martin Diehl
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b6596a0310
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compiler can do the counting
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2020-03-29 19:17:24 +02:00 |
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Martin Diehl
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e1bd49a12b
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constants/parameters in capitals
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2020-03-17 08:17:14 +01:00 |
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Martin Diehl
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fecd1586b0
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using notation from paper
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2020-03-16 23:31:43 +01:00 |
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Martin Diehl
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7b3b4ffb1c
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following python style
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2020-03-16 11:14:27 +01:00 |
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Martin Diehl
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33aaa94865
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use centralized (and tested) funtionality
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2020-03-14 17:29:08 +01:00 |
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Martin Diehl
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8bd708f3b1
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correct type
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2020-03-14 13:53:21 +01:00 |
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Martin Diehl
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5c4ddf5138
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Merge branch 'development' into MiscImprovements
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2020-03-14 12:52:30 +01:00 |
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Martin Diehl
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07ecf60722
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more explicit and flexible
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2020-03-13 14:03:04 +01:00 |
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Martin Diehl
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aa75591ea9
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no need to prefix internal parameters
also, use CAPITALS for parameters, but not for module prefixes (does not
work for IO and HDF5 anyway)
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2020-03-10 13:45:00 +01:00 |
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Martin Diehl
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39b2f8d2d9
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clearer name
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2020-03-10 06:13:54 +01:00 |
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Martin Diehl
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00d6187325
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public functions first
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2020-02-29 17:04:29 +01:00 |
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Martin Diehl
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0c70eefb91
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always assume indicators of length 3
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2020-02-29 17:03:01 +01:00 |
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Martin Diehl
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4d227fab2b
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polishing
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2020-02-29 14:34:19 +01:00 |
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Martin Diehl
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4935f90d5a
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polishing
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2020-02-29 13:17:33 +01:00 |
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Martin Diehl
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2bc36121b2
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less public variables, clearer names
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2020-02-29 12:57:19 +01:00 |
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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
|
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 |