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DAMASK_EICMD
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199 Commits

Author SHA1 Message Date
Vitesh 4a8c836117 Merge branch 'store-sim-setup' into 'development' 
store information on slip and twin systems

See merge request damask/DAMASK!422
 2021-08-03 13:16:59 +00:00
Martin Diehl 044a048944 taking care of corner cases (e.g. restart) 
adjusting tests to take care of new 'setup' group
 2021-08-01 22:46:11 +02:00
Martin Diehl af714cfd5b broken Intel compiler (do concurrent) 
errors occur under unclear conditions, better avoid at the moment:

https://community.intel.com/t5/Intel-Fortran-Compiler/do-concurrent-broken-with-openmp/m-p/1301528#M156942
https://community.intel.com/t5/Intel-Fortran-Compiler/Bug-with-do-concurrent-and-openmp/m-p/1173473m
 2021-07-27 16:44:13 +02:00
Martin Diehl c7ed0e7934 Merge remote-tracking branch 'origin/development' into do-concurrent 2021-07-26 20:20:52 +02:00
Martin Diehl e56f2e09a4 trivial and never used 
even the more commoly used fucntions for 3x3 matrices are not all in use
 2021-07-26 10:22:53 +02:00
Martin Diehl d19ab4c4f6 co concurrent possible here 
note: do concurrent cannot be used for the double loops for 66 to 3333!
 2021-07-25 14:37:50 +02:00
Martin Diehl 31a4000655 no need for arbitrary dimension 
not sure if correct, not used at all (even identity4th for 3 dim is not
used, but now at least tested)
 2021-07-25 13:32:11 +02:00
Martin Diehl 3bb5ae3d9e concurrent/parallel execution is possible here 2021-07-25 13:20:39 +02:00
Martin Diehl 4fab078d18 multinomial tested+simplified 2021-07-22 15:31:30 +02:00
Martin Diehl 013c4c0a92 common variable names 2021-07-16 10:31:40 +02:00
Martin Diehl 72ab936ec3 cleaning 2021-05-23 00:12:55 +02:00
Martin Diehl 2ca3a824a4 better fail immediately 2021-02-25 23:11:36 +01:00
Martin Diehl 6f65de27fc not used 
was only used for reporting (see v.2.0.0)
 2021-01-07 14:59:12 +01:00
Martin Diehl 80c8c9e51e fixing use for new Intel Fortran 
visibility of use associated entities can now be limited
 2020-11-28 07:23:55 +01:00
Martin Diehl 3d7aceb99b avoid underflow/division by zero 2020-11-11 20:57:17 +01:00
Martin Diehl cd7ada0da9 use Fortran internals for error handling 2020-11-11 20:09:14 +01:00
Martin Diehl 41fbc58c1b standard conforming name 2020-09-22 13:09:12 +02:00
Martin Diehl 63f9078f04 don' hardcode output unit 
replaced remaining write(6,..), flush(6) with write(OUTPUT_UNIT,...),
flush(OUTPUT_UNIT)
 2020-09-22 12:15:36 +02:00
Martin Diehl 797073b015 print choses output unit automatically, no need to rely on 6 
also shorter...
 2020-09-17 19:28:41 +02:00
Martin Diehl 5b83c8ad3c use 'error stop' 
- does not require IO
- prints stack trace
 2020-09-13 12:09:32 +02:00
Martin Diehl 74b35f5612 short numpy name 2020-09-13 11:18:57 +02:00
Martin Diehl b499578a95 prefix should be name of the module 
poor substitute for namespace
 2020-09-13 10:39:17 +02:00
Sharan Roongta 7754a1ea56 Restructuring for material.yaml 2020-08-15 16:08:46 +02:00
Martin Diehl 86bef605e3 polishing 2020-07-24 23:40:42 +02:00
Martin Diehl 3ed1850d68 calculate R directly from F 
no detour via inverse of U/V needed.
Determinant of R seems to deviate less from 1.0 with this version
 2020-07-24 23:08:05 +02:00
Martin Diehl ec56316683 IPneighborhood for MSC.Marc 
tested for 8 ip hexahedaron
 2020-07-16 15:26:00 +02:00
Sharan Roongta 0b2d62e98d polishing 2020-06-29 17:05:11 +02:00
Martin Diehl 640bc7b190 [skip ci] polishing 2020-06-29 15:09:13 +02:00
Sharan Roongta 692fc98fd5 'num' structure for data to avoid multiple reading of parameters 2020-06-24 16:35:47 +02:00
Sharan Roongta d4d29ff376 cleaning: comments added 2020-06-17 17:19:21 +02:00
Sharan Roongta 45f1e3a986 further removal of public variables 2020-06-17 13:31:21 +02:00
Martin Diehl ae20ab8d42 more reasonable name 2020-05-16 17:05:03 +02:00
Martin Diehl a6d1e02b32 LAPACK calls the unblocked versions for our small matrices 
so a work that holds exactly the data seems to be the best choice
 2020-04-10 23:54:38 +02:00
Martin Diehl a2e70612ff interface checking for LAPACK 2020-04-10 12:52:27 +02:00
Martin Diehl ba5538516c simplified 2020-03-29 20:04:24 +02:00
Martin Diehl b6596a0310 compiler can do the counting 2020-03-29 19:17:24 +02:00
Martin Diehl becb04c234 simpler ... 2020-03-16 22:50:09 +01:00
Martin Diehl c702a9f1d7 numpy name 2020-03-16 22:50:09 +01:00
Martin Diehl 5b71f1050f better make internal function 
- not used
- no check whether matrix is positive-definite, i.e. danger of NaN
 2020-03-15 16:11:28 +01:00
Martin Diehl 8c78347a8b equivalent, but systematic better visible 2020-03-15 16:05:56 +01:00
Martin Diehl 7677bc876b more precise documentation 
symmetric is not enough, could result in taking the square root of negative eigenvalues
 2020-03-15 15:58:25 +01:00
Martin Diehl 253ee0013d equivalent, but more systematic 2020-03-15 15:03:53 +01:00
Martin Diehl 65decfc48a intention more clear 2020-03-15 14:54:25 +01:00
Martin Diehl 66302fa6da rotational part is always of 3x3 tensor 2020-03-15 14:21:11 +01:00
Martin Diehl 4b3f4834b5 unified documentation and variable names 2020-03-15 14:07:38 +01:00
Martin Diehl 2d678fae8f better readable 2020-03-15 13:52:50 +01:00
Martin Diehl 6a0d4678a9 better readable 2020-03-15 13:19:07 +01:00
Martin Diehl 9aa9b7ff69 documenting parameters 2020-03-15 13:09:27 +01:00
Martin Diehl 33aaa94865 use centralized (and tested) funtionality 2020-03-14 17:29:08 +01:00
Martin Diehl 2f16c1cacf more relevant test 
restricting to reasonable F allows to use a reasonable tolerance
 2020-03-10 07:58:03 +01:00