Commit Graph

4132 Commits

Author SHA1 Message Date
Martin Diehl eea8aa94af not used 2022-01-10 18:50:28 +01:00
Sharan Roongta b8203e94d8 Merge branch 'pure-LAPACK' into 'development'
improved function attributes

See merge request damask/DAMASK!491
2022-01-03 14:07:54 +00:00
Martin Diehl 510a26ded9 is used in dislotwin according to original paper 2022-01-03 10:36:23 +01:00
Martin Diehl b34655b7fc functions without side-effects are 'pure'
basically all 'getter' functions should be pure
2022-01-01 11:39:14 +01:00
Martin Diehl 2f74e0d070 avoid failing self test
increase number of samples to have less corner cases.
Needs to be allocatable to avoid stack/heap issue on ifort
2022-01-01 11:39:02 +01:00
Martin Diehl fb51e3c4cd functions have no side-effects, hence 'pure' 2021-12-29 07:19:26 +01:00
Martin Diehl 59bb264b5f LAPACK routines can be considered pure
all arguments have 'intent' specification and don't access any global
variables.
output to screen only occurs in the case that someting goes wrong
2021-12-29 07:09:52 +01:00
Martin Diehl 4583c17080 corrent 'intent' specification
- http://www.netlib.org/lapack/explore-html/d7/d3b/group__double_g_esolve_ga5ee879032a8365897c3ba91e3dc8d512.html
- http://www.netlib.org/lapack/explore-html/dd/d9a/group__double_g_ecomputational_ga56d9c860ce4ce42ded7f914fdb0683ff.html
2021-12-29 07:00:28 +01:00
Martin Diehl e10dea5b6c easier to understand 2021-12-19 22:53:48 +01:00
Martin Diehl 00230d482f use data from other physics directly
more clear code, simplified interfaces
2021-12-19 22:07:23 +01:00
Martin Diehl 5af6cc288b whitespace adjustments 2021-12-19 21:46:10 +01:00
Martin Diehl f833d348e0 testing random sampling 2021-12-17 08:01:15 +01:00
Martin Diehl f40d731fe1 use the Box-Muller transform instead of random sampling
still needs testing.
2021-12-16 21:22:44 +01:00
Martin Diehl 6ba2a08e5a easier to read 2021-12-11 11:50:40 +01:00
Martin Diehl d6ba73d9e2 consistent names 2021-12-11 09:54:46 +01:00
Martin Diehl f51633d43a forall is deprecated
do concurrent is the successor but ifort had problems and generated
faulty code
2021-12-11 09:01:42 +01:00
Martin Diehl 7d7d0c2659 only local variable are good variables 2021-12-11 08:49:30 +01:00
Sheng Zhang a4cd663fc0 Merge branch 'no-2prism-hex' into development 2021-12-06 16:45:01 +01:00
Martin Diehl fe2123bae4 2. order prismatic systems are not needed
not clear for which material they have been introduced, according to
T.R. Bieler and P. Eisenlohr they are typicall not active in any
material of interest
2021-12-06 12:23:24 +01:00
Martin Diehl 8ade749f05 avoid conversions 2021-12-06 08:55:00 +01:00
Martin Diehl 2fb368cf8c consistent space (as in 'end module' etc) 2021-12-06 07:59:40 +01:00
Martin Diehl 08a709c6d9 capitalize HDF5 prefix 2021-12-06 07:55:22 +01:00
Martin Diehl 2f067b544e use variables, not descriptors 2021-12-06 07:55:13 +01:00
Martin Diehl c818756f68 wrong check
iand is used for checking, see https://support.hdfgroup.org/HDF5/doc/RM/H5Z/H5Zget_filter_info.htm
2021-12-02 20:51:33 +01:00
Martin Diehl 731e20261c bugfix for HDF5 without deflate filter
before inquiring whether a filter supports compression/decompression, we
first need to check whether it is available at all to avoid raising an
error.
Extended the check to the shuffle filter
2021-12-02 13:00:59 +01:00
Martin Diehl 5abfe3c214 Merge remote-tracking branch 'origin/development' into MSC-Version 2021-12-01 15:35:49 +01:00
Sharan Roongta 7e7098baf7 Merge branch 'rotate-Voigt' into 'development'
Rotate voigt

See merge request damask/DAMASK!463
2021-11-29 16:47:39 +00:00
Nikhil Prabhu 96e4cb591c Merge branch 'integer-exponents' into 'development'
Using integer exponent

See merge request damask/DAMASK!467
2021-11-29 07:32:04 +00:00
Philip Eisenlohr a531b7ccae transitioned remaining real exponents to int 2021-11-28 12:46:26 -05:00
Martin Diehl 81daebd0e6 Merge remote-tracking branch 'origin/development' into integer-exponents 2021-11-27 20:44:26 +01:00
Martin Diehl 1fbeabc949 Merge remote-tracking branch 'origin/development' into rotate-Voigt 2021-11-27 19:55:02 +01:00
Martin Diehl ccd6e44b6b Merge remote-tracking branch 'origin/development' into 134-output_none 2021-11-27 19:17:27 +01:00
Philip Eisenlohr 2fbe34497e integer exponents 2021-11-26 14:13:04 -05:00
Martin Diehl 825eb3824b polishing 2021-11-26 20:10:21 +01:00
Philip Eisenlohr 6cad6bc5cf clarify slip plane for (first) pyr<a> 2021-11-26 13:01:40 +01:00
Martin Diehl b88ab1af48 simplify search for interaction parameters 2021-11-26 13:01:40 +01:00
Martin Diehl bfc6b69ee2 integer exponents: faster and shorter 2021-11-25 20:52:22 +01:00
Franz Roters f435062a1d support for Marc2021.3.1 2021-11-25 17:30:22 +01:00
Martin Diehl 72c717d51d simplified/correct type 2021-11-25 15:37:13 +01:00
Sharan Roongta 271bb8df88 being consistent 2021-11-25 15:03:00 +01:00
Sharan Roongta 90f967cc86 Merge remote-tracking branch 'origin/T_ref300' into dynamic-C 2021-11-25 12:11:38 +01:00
Martin Diehl fb8c515a98 capitalize constants
not sure whether we should make exceptions for k_B and T_room
2021-11-25 11:52:52 +01:00
Sharan Roongta 8b06d97e84 Merge remote-tracking branch 'origin/T_ref300' into dynamic-C 2021-11-25 11:18:25 +01:00
Martin Diehl e941867290 single source of truth 2021-11-25 06:23:26 +01:00
Martin Diehl bc30248b95 0K is not a good reference 2021-11-25 06:12:55 +01:00
Sharan Roongta 35f20811cb thermal dependent C 2021-11-24 23:21:31 +01:00
Philip Eisenlohr da23c916ca polish 2021-11-21 15:49:04 -05:00
Martin Diehl 28ff027b38 exploit symmetry for stress calculation 2021-11-20 22:36:01 +01:00
Martin Diehl a857285e34 backward transformation for Voigt 2021-11-20 22:09:01 +01:00
Martin Diehl f6440f7f17 need to check 'any', adjusted tolerance 2021-11-20 15:18:48 +01:00