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4904 Commits

Author SHA1 Message Date
Martin Diehl fbdab24f4b bugfix: used wrong definition 
looks like a copy and paste error
 2023-11-20 13:27:34 +01:00
Martin Diehl 57fab5db1c restart (currently) not supported for mesh solver 2023-11-20 09:39:59 +01:00
Martin Diehl bb234938cc whitespace polishing 2023-11-02 15:43:11 +01:00
Martin Diehl 5a5f1cfc5b mesh works again for PETSc >= 3.19 
needs also bugfix in PETSc: https://gitlab.com/petsc/petsc/-/merge_requests/6986
 2023-11-02 15:41:20 +01:00
Franz Roters 7eb16ddc75 add support for Marc2023.3 2023-10-18 13:54:15 +02:00
Franz Roters e5864efb8a add support for Marc2023.2 2023-10-18 13:53:23 +02:00
Daniel Otto de Mentock 5bb7e54dfc Merge branch '308-fortran-type-for-result-and-hdf5_utilities-not-found-when-using-classic-intel-compiler' into 'development' 
fix issues with compilation

Closes #308

See merge request damask/DAMASK!822
 2023-10-16 12:59:20 +00:00
Martin Diehl 134e640ffe Merge branch '336-performance-degradation-for-new-non-schmid-formulation' into 'development' 
no merge in hot loop

See merge request damask/DAMASK!833
 2023-10-16 12:53:40 +00:00
Daniel Otto de Mentock 3517c7dee3 Merge branch 'petsc-3.20' into 'development' 
PETSc 3.20

See merge request damask/DAMASK!834
 2023-10-13 11:14:57 +00:00
Martin Diehl 57e02bb991 PETSc 3.20 2023-10-09 20:10:05 +02:00
Martin Diehl b26398319b testing YAML_types 2023-10-05 22:58:31 +02:00
Martin Diehl 0e353d9feb no merge in hot loop 
results in measureable run time decrease for Intel and GNU compilers
 2023-10-05 17:13:46 +02:00
Philip Eisenlohr dab5ba1e60 call polynomials_selfTest in DAMASK_test 2023-09-28 07:07:49 +02:00
Martin Diehl 8489658cb4 avoid use of unitialized variable (x_ref) 
further polishing for better readability
 2023-09-27 20:56:49 +02:00
Franz Roters a5a4ba0a54 Merge branch 'small-dislotwin-fix' into 'development' 
fix erroneous check for N_tr

See merge request damask/DAMASK!826
 2023-09-27 12:23:44 +00:00
Philip Eisenlohr f8cead9e0a Merge branch 'no-FMA' into 'development' 
let the compiler do the work

See merge request damask/DAMASK!824
 2023-09-27 12:06:35 +00:00
Philip Eisenlohr 836ddb4ba5 easier to understand (and maybe failsafe against empty coef) 2023-09-26 22:27:28 +00:00
Philip Eisenlohr 3621f0e8a1 check for N_tr, not twice N_tw 2023-09-26 09:17:25 -04:00
Martin Diehl c619bed975 let the compiler do the work 
compilers are aware of the FMA instruction and use it
 2023-09-24 06:31:36 +02:00
Martin Diehl ac898be888 fix issues with compilation 
preprocessor statement or unsupported private/public statemens for
modules seem to confuse CMake
 2023-09-22 20:24:58 +02:00
Martin Diehl 7c2e870d17 polishing 2023-09-22 07:10:08 +02:00
Martin Diehl eeb5de0531 easier to understand 2023-09-21 22:32:38 +02:00
Philip Eisenlohr 16b029cf39 bug fix: used wrong index for slip family-dependent coeffs 2023-09-18 09:44:52 -04:00
Philip Eisenlohr 6a75a1ad23 avoid uninitialized mem access 2023-09-18 14:49:53 +02:00
Philip Eisenlohr 6d2b175018 removed obsolete function 2023-09-15 21:41:37 -04:00
Philip Eisenlohr ee058c53ec extended math_expand docstring 2023-09-15 21:21:50 -04:00
Philip Eisenlohr dd3d5483d6 adapted dislotungsten; does not converge with large(r) coefficients... 2023-09-15 21:20:55 -04:00
Philip Eisenlohr 715bc1bb83 adapted nonlocal 2023-09-15 13:15:55 -04:00
Philip Eisenlohr 7ac552ee49 adapted kinehardening 2023-09-15 11:13:58 -04:00
Philip Eisenlohr 2a88285088 adapted phenopowerlaw 2023-09-15 10:50:41 -04:00
Martin Diehl 4de21b5f86 more systematic name 2023-09-15 00:28:40 +02:00
Philip Eisenlohr a2b571c1fc corrected sign definition of <111>{110} slip systems 
Breaking change: Sign of shear differs
 2023-09-15 00:21:04 +02:00
Martin Diehl 0396332b7b needed for fixed non-Schmid behavior 2023-09-14 22:46:12 +02:00
Philip Eisenlohr af955df891 added phi_min back to example; more consistency in code syntax 2023-09-06 15:11:48 -04:00
Sharan 925da8aad4 Merge remote-tracking branch 'origin/numerics-comment-format' into restructure-numerics 2023-09-06 20:14:58 +02:00
Sharan 9c4fa16c7d new mech dict 2023-09-06 19:57:40 +02:00
Sharan eacdf38482 Merge remote-tracking branch 'origin/development' into restructure-numerics 2023-09-06 12:17:13 +02:00
Sharan e101b5cca8 correct pointer 2023-09-06 11:17:39 +02:00
Cathy Bing 288aa73047 added sanity check for positive rho,C_p,K in thermal 2023-09-01 17:30:37 -04:00
Franz Roters 8748af5dc5 Merge branch 'reporting-references-before-phases' into 'development' 
report references before phase count

See merge request damask/DAMASK!808
 2023-08-30 14:58:54 +00:00
Franz Roters a765074a1f Merge branch 'fix-bct-slip-systems' into 'development' 
bugfix: wrong definition of bct slip systems

See merge request damask/DAMASK!806
 2023-08-30 13:16:09 +00:00
Martin Diehl 3f8a561465 testing tI slip systems 2023-08-29 14:18:16 +02:00
Philip Eisenlohr aa651e04ae reverse order of printing 2023-08-28 21:43:21 -04:00
Philip Eisenlohr b0809a8afe function is obsolete 2023-08-28 17:59:37 -04:00
Martin Diehl 854211a71f bugfix: wrong definition of bct slip systems 2023-08-18 21:46:44 +02:00
Sharan 09f3b2063d Merge remote-tracking branch 'origin/development' into restructure-numerics 2023-08-17 12:09:10 +02:00
Daniel Otto de Mentock aa28fe677e Merge branch 'no-line-length-limit' into 'development' 
avoid issues with long lines

See merge request damask/DAMASK!796
 2023-08-14 17:08:51 +00:00
Philip Eisenlohr e161ef40b3 per-family parameters for kinehardening 2023-08-11 10:36:03 -04:00
Philip Eisenlohr c93309ed06 Merge branch 'use-IO-in-CLI' into 'development' 
Use IO in CLI

See merge request damask/DAMASK!798
 2023-08-11 13:30:19 +00:00
Franz Roters e8534d6ff6 Merge branch 'math-improvements' into 'development' 
Math improvements

See merge request damask/DAMASK!794
 2023-08-11 08:01:55 +00:00
Martin Diehl a1eb7829ee Math improvements 2023-08-11 08:01:55 +00:00
Martin Diehl 7d08286192 clearer error message 2023-08-10 23:49:20 +02:00
Martin Diehl fe2cf94d70 use central functionality 2023-08-10 23:06:31 +02:00
Philip Eisenlohr 82a55ee28d report optional numerics config file 2023-08-10 12:52:27 -04:00
Franz Roters 91bb315d3c Merge branch 'phenopower-parameters-per-family' into 'development' 
phenopowerlaw slip family-dependent

See merge request damask/DAMASK!793
 2023-08-10 14:16:33 +00:00
Martin Diehl 26ad83a29b unused 2023-08-08 09:22:07 +02:00
Martin Diehl 98fe38a505 avoid issues with long lines 
line length <= 132 is already enforced in pre-receive hook
 2023-08-08 07:20:45 +02:00
Philip Eisenlohr aa2a20ba1d DAMASK_test output polish 2023-08-07 14:08:07 +00:00
Philip Eisenlohr 9d3de05816 corrected test resource; more informative error 2023-08-05 14:56:02 -04:00
Daniel Otto de Mentock cc77d5c69b interfaces are not included in petsc version<=3.16.x yet 2023-08-04 19:16:47 +02:00
Philip Eisenlohr ffdf478b62 all parameters as slip family-dependent 2023-08-04 13:07:42 -04:00
Sharan Roongta 99292c5081 prefix not required 2023-08-02 16:02:51 +02:00
Daniel Otto de Mentock 23cd3fc1fb Merge branch 'more-Fortran-test' into 'development' 
include more unit tests for Fortran

See merge request damask/DAMASK!789
 2023-08-02 13:35:34 +00:00
Sharan Roongta c960f8ed58 space needed to add new option + marc changes 2023-08-02 14:21:47 +02:00
Sharan Roongta ac63ee3600 marc and other minor changes 2023-08-02 14:18:54 +02:00
Sharan Roongta 482ba98b18 mesh numerics changes 2023-08-02 13:28:50 +02:00
Philip Eisenlohr d73f769013 Merge branch 'restructure-numerics' into 'development' 
Restructure numerical parameters RGC

See merge request damask/DAMASK!788
 2023-08-01 18:23:31 +00:00
Sharan Roongta 485839b651 consistent names 2023-08-01 18:03:00 +02:00
Sharan Roongta 4191762a41 seems redundant 2023-08-01 11:07:07 +02:00
Sharan Roongta 6b85ee47d4 new names 2023-08-01 10:49:43 +02:00
Philip Eisenlohr 43b58c93ee Merge branch 'Marc2023.1' into 'development' 
Marc2023.1

See merge request damask/DAMASK!786
 2023-07-31 13:04:50 +00:00
Martin Diehl efeed13d8f include more unit tests for Fortran 2023-07-31 11:04:58 +02:00
Martin Diehl 39f4bc44e1 Merge branch '282-setup-for-fortran-unit-testing' into 'development' 
Resolve "setup for Fortran unit testing"

Closes #282

See merge request damask/DAMASK!783
 2023-07-31 08:51:15 +00:00
Martin Diehl dbad2a7413 hints from gfortran 2023-07-30 23:17:21 +02:00
Sharan Roongta 7923f48fa0 update RGC numerical parameters 2023-07-28 11:07:45 +02:00
Sharan Roongta af2a4c6e72 more readable 2023-07-26 16:32:47 +02:00
Sharan Roongta 2547d4a25c clear names 2023-07-25 23:04:29 +02:00
Sharan Roongta 4f59fac81d Merge remote-tracking branch 'origin/development' into restructure-numerics 2023-07-25 11:05:22 +02:00
Philip Eisenlohr ee8876abdb Merge branch 'grid-solver-polishing' into 'development' 
Grid solver polishing

See merge request damask/DAMASK!781
 2023-07-25 08:51:15 +00:00
Sharan Roongta 33e0048010 subStep ---> step 2023-07-24 21:03:35 +02:00
Martin Diehl 039d5e0fce improved comments and naming 2023-07-24 18:46:06 +02:00
Martin Diehl d953e6bedf unified style 2023-07-24 18:29:36 +02:00
Sharan Roongta 59ae287564 numerical parameters related to phase state and stress integration 2023-07-24 10:04:22 +02:00
Franz Roters 96871350e4 add files to support Marc2023.1 2023-07-24 09:34:11 +02:00
Philip Eisenlohr dafd39566d can only have one instance per thermal source 2023-07-22 15:30:09 -04:00
Philip Eisenlohr 2d0b64e00d better variable names 2023-07-22 15:30:09 -04:00
Philip Eisenlohr 4086f40a16 pull "constants" out of inner loops 2023-07-22 14:01:53 -04:00
Martin Diehl 1fdc5443b2 avoid code (loop) duplication 2023-07-21 08:39:46 +02:00
Martin Diehl 8da3736d42 extending test suite 2023-07-20 21:16:31 +02:00
Franz Roters bfc2a76a0e Merge branch 'Marc-use-IO' into 'development' 
avoid duplicate lc function

See merge request damask/DAMASK!780
 2023-07-19 07:13:15 +00:00
Martin Diehl 535ccf1378 clearer name 2023-07-19 04:19:57 +02:00
Martin Diehl ef5fe61ff6 limit scope length 2023-07-19 02:58:08 +02:00
Martin Diehl 5b56b13c64 report information on staggered iterations 2023-07-19 02:34:37 +02:00
Martin Diehl 5e9162b073 Merge remote-tracking branch 'origin/development' into untangle-homog-phase 2023-07-18 21:15:46 +02:00
Martin Diehl dc9d4bb5a9 centralized ID handling to enable cross-talking 2023-07-18 21:15:34 +02:00
Martin Diehl 26014aec1f 'true' kinematics first 2023-07-18 21:15:34 +02:00
Martin Diehl 2ae1f1f829 simplified 2023-07-18 21:15:34 +02:00
Martin Diehl d85ad0b554 improved naming 2023-07-18 21:13:23 +02:00
Philip Eisenlohr 341119d706 Merge branch 'solver-simplification' into 'development' 
simplified thermal and damage solvers

See merge request damask/DAMASK!778
 2023-07-18 16:05:43 +00:00
Martin Diehl d88b2e713d avoid duplicate lc function 2023-07-18 15:33:33 +02:00
Martin Diehl 37c0b59afd clearer name for (non-general) postfix 2023-07-18 01:36:52 +02:00
Martin Diehl 9651f3e486 examples follow current implementation 
small polishing/consistent capitalization
 2023-07-17 18:03:31 +02:00
Martin Diehl 0479db85ae indicate constant with CAPITALS 2023-07-17 17:51:34 +02:00
Martin Diehl 6f3b409a25 enable FFTW planner flags in CAPITALS 2023-07-17 17:48:47 +02:00
Philip Eisenlohr 223d321a94 concatenated error reporting 2023-07-17 11:37:52 -04:00
Sharan Roongta 2bd216ab3a avoid confusion with config module 2023-07-17 17:28:03 +02:00
Sharan Roongta 78431783ba capitalisation indicate constants 2023-07-17 17:26:11 +02:00
Martin Diehl ddeb218728 unified naming scheme with damage/thermal 2023-07-17 05:56:06 +02:00
Martin Diehl 8682df0e86 avoiding double storage of phi 
general adjustments of damage solver to follow thermal solver
 2023-07-17 02:38:16 +02:00
Sharan a1f797de3e consistency 2023-07-16 22:43:10 +02:00
Sharan 45dd387527 polarisation --> polarization 2023-07-16 22:04:18 +02:00
Martin Diehl b54cf03d6d allgather instead of allreduce+sum with contribution from 1 proc 2023-07-16 19:29:45 +02:00
Sharan Roongta 054f548f4c Merge remote-tracking branch 'origin/development' into restructure-numerics 2023-07-16 15:41:37 +02:00
Sharan Roongta 85ba5414c0 Merge branch 'rename-lattice-to-crystal' into 'development' 
consistent naming with Python module

See merge request damask/DAMASK!777
 2023-07-16 09:20:28 +00:00
Sharan Roongta 5882d4210d Merge branch 'universal-error+warning-formatting' into 'development' 
CLI errors with IO_error

See merge request damask/DAMASK!774
 2023-07-16 09:17:33 +00:00
Martin Diehl 09b0cc3101 avoid duplicated storage of solution vector/T 
polished variable names and simplified expressions
 2023-07-16 05:22:16 +02:00
Martin Diehl e1630e4057 consistent naming with Python module 2023-07-15 23:10:29 +02:00
Philip Eisenlohr b235742472 clearer error messages 2023-07-14 10:23:23 -04:00
Daniel Otto de Mentock b578859ec9 Merge branch '302-dimension-mismatch-when-passing-a-flattened-f-array-to-utilities_updatecoords' into 'development' 
reshape to expected shape

Closes #302

See merge request damask/DAMASK!771
 2023-07-14 08:55:05 +00:00
Sharan Roongta 35b8d5fc7f missing parameters of grid added to the current structure 2023-07-13 22:03:29 +02:00
Sharan Roongta 12cb043d6d grid solver related changes 2023-07-12 23:14:46 +02:00
Philip Eisenlohr 7c875371a6 Merge branch 'development' into universal-error+warning-formatting 2023-07-12 09:31:37 -04:00
Philip Eisenlohr 61f1cdf70d Merge branch '300-further-command-line-arguments' into 'development' 
option to specify numerics configuration file and jobname

Closes #300

See merge request damask/DAMASK!772
 2023-07-12 13:24:00 +00:00
Martin Diehl d9cf3983b4 more generic error codes 
allow label without ID in IO_error
 2023-07-12 12:47:52 +02:00
Philip Eisenlohr d452a9ce3f use IO_error in CLI 2023-07-11 17:15:03 -04:00
Philip Eisenlohr 4d8fc08a2f shorter logic for addSetupFile 2023-07-11 16:11:59 -04:00
Martin Diehl 0e7c9f101c avoid file name clashes 2023-07-11 20:45:20 +02:00
Philip Eisenlohr 83db176e1b specific error per missing mandatory argument 2023-07-11 13:19:31 -04:00
Philip Eisenlohr 32810cbe8b error formatting through function 2023-07-11 13:16:00 -04:00
Philip Eisenlohr 70817606db shorter logic for missing arguments 2023-07-11 12:35:23 -04:00
Martin Diehl 162a009aa9 helpful error messages 2023-07-11 15:11:17 +02:00
Sharan Roongta 9b349bb912 Merge remote-tracking branch 'origin/development' into 302-dimension-mismatch-when-passing-a-flattened-f-array-to-utilities_updatecoords 2023-07-11 14:27:39 +02:00
Martin Diehl 15e5bce7e4 indicate read-only access 2023-07-10 20:50:24 +02:00
Martin Diehl cf74a687c5 not needed 2023-07-10 20:40:22 +02:00
Martin Diehl 4a1c6e7b4f unified code 2023-07-10 20:34:06 +02:00
Martin Diehl 3af61233c9 option to specify numerics configuration file and jobname 
default jobname now includes all CLI arguments (for mesh/grid only)
 2023-07-10 20:24:03 +02:00
Martin Diehl 40b4062b83 reshape to expected shape 2023-07-06 14:39:36 +02:00
Franz Roters a8875677cd Merge branch 'language-polish' into 'development' 
Additional language polish

See merge request damask/DAMASK!765
 2023-06-28 10:23:00 +00:00
Philip Eisenlohr d2c374624e Additional language polish 2023-06-28 10:23:00 +00:00
Philip Eisenlohr 453f0cdd7e Merge branch 'development' into 298-forest-projections 2023-06-23 23:31:11 -04:00
Franz Roters af7452edde Merge branch 'Thompson-fcc-labels' into 'development' 
Thompson tetrahedron notation for fcc slip systems

See merge request damask/DAMASK!767
 2023-06-23 13:45:47 +00:00
Sharan Roongta 3bb5319f79 Merge branch 'CLI-material' into 'development' 
CLI-material

See merge request damask/DAMASK!763
 2023-06-23 09:22:18 +00:00
Martin Diehl e34ee25597 avoid access to unused variable, no need for nested function 2023-06-23 08:56:34 +02:00
Philip Eisenlohr 4e7d953fe9 indent by format string; provide full commandline call 2023-06-22 22:59:44 -04:00
Martin Diehl efc9391ca7 simplified 2023-06-23 00:06:44 +02:00
Martin Diehl e197e45566 use existing functionality 2023-06-22 23:25:25 +02:00
Martin Diehl a4c52fb119 no CamelCasing 2023-06-22 23:19:36 +02:00
Martin Diehl fff811edd9 following Python (os.path.normpath, os.path.relpath) 2023-06-22 23:13:45 +02:00
Martin Diehl 5053c53ee4 don't rely on upper bound estimates for string length 2023-06-22 22:49:25 +02:00
Philip Eisenlohr a35d445294 consistent phase name reporting 2023-06-22 15:05:54 -04:00