Commit Graph

4825 Commits

Author SHA1 Message Date
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
Philip Eisenlohr 28ebc8ef1a inline math_expand for other constitutive laws 2023-06-22 14:50:18 -04:00
Philip Eisenlohr 96de1abc04 forest projection of both edge and screw character with adjustment parameter f_edge 2023-06-22 14:16:27 -04:00
Philip Eisenlohr d4d3178717 Corrected labeling of {111} planes 2023-06-22 15:27:46 +00:00
Philip Eisenlohr 0842bd503a immediate parameter expansion over slip systems 2023-06-21 16:21:52 -04:00
Philip Eisenlohr e4a0b07225 removed confusing Schmid-Boas in favor of cleaner Thompson tetrahedron notation 2023-06-21 11:21:44 -04:00
Philip Eisenlohr da51fa5fdc Reporting language polishing 2023-06-21 09:37:00 +00:00
Philip Eisenlohr cb6b1b30f5 shortened CLI reporting; condensed repeated CLI functions 2023-06-16 12:09:53 -04:00
Sharan Roongta 1d8939efad adjusted tests 2023-06-12 17:35:08 +02:00
Sharan Roongta d00bf2d3d5 causes problem for MARC
to be removed later
2023-06-09 14:10:31 +02:00
Sharan Roongta 582f72377a Merge remote-tracking branch 'origin/development' into CLI-material 2023-06-07 12:53:20 +02:00
Sharan Roongta 2d0c7b2335 reading material.yaml from command line 2023-06-06 10:53:53 +02:00
Martin Diehl 11530c19bb Merge remote-tracking branch 'origin/development' into 289-consistent-name-for-base-datatypes-in-fortran 2023-06-05 15:02:50 +02:00
Martin Diehl 0324e7ece1 parameters should be spelled in capitals 2023-06-04 13:52:31 +02:00
Martin Diehl 319489fad8 consistent with usage in other modules 2023-06-04 13:52:23 +02:00
Martin Diehl ca1c22874b consistent and short 2023-06-04 13:51:05 +02:00
Martin Diehl d00a530d2d f_phi factor corrected 2023-06-04 13:42:00 +02:00
Martin Diehl d0b832e6f1 consistent with naming in HDF5_utilities 2023-06-03 17:06:32 +02:00
Martin Diehl a5ce0f9b1e self test failed once, relaxing tolerances 2023-05-31 13:13:26 +02:00
Martin Diehl 7caf483dd9 standard documentation style (following numpy doc) 2023-04-19 07:51:54 +02:00
Martin Diehl f8875db044 unused leftover 2023-04-19 06:58:33 +02:00
Martin Diehl d32d088ed7 positive values are ok
from the description:
Returns a non-negative value if successful; otherwise returns a negative value.
2023-04-18 12:01:03 +02:00
Martin Diehl 563f908d0c testing misc functionality 2023-04-14 11:17:29 +02:00
Martin Diehl a42cf61998 Merge branch 'PETSc-3.19' into 'development'
PETSc 3.19 is out

See merge request damask/DAMASK!750
2023-04-13 20:20:03 +00:00
Martin Diehl 7d1433875d PETSc 3.19 is out 2023-04-13 20:13:01 +02:00
Franz Roters d9d611b5a0 Merge branch 'optional-not-needed' into 'development'
optional propagates

See merge request damask/DAMASK!749
2023-04-13 14:30:02 +00:00
Martin Diehl 58141210a2 optional propagates 2023-04-12 05:56:11 +02:00
Philip Eisenlohr eeb0825e63 adjusting to original publication
Our implementation is using synonymous names for parameters compared to the paper by J.A. Wollmershauser, B. Clausen, and S.R. Agnew.

'xi_inf' and 'chi_inf' are not strictly "asymptotic values", but stresses that correspond to the back-extrapolation from the terminal linear hardening stage (characterized by 'h_inf_xi/chi').

All parameters are referenced back to their counterparts in the paper by J.A. Wollmershauser, B. Clausen, and S.R. Agnew.
2023-03-31 17:54:25 +00:00
Martin Diehl 043d48d4d3 correct unit 2023-03-21 22:41:52 +01:00
Yi Hu 19f5b33515 Merge branch '268-name-of-output-label-of-damage-model' into 'development'
notation following paper

Closes #268

See merge request damask/DAMASK!746
2023-03-14 08:09:22 +00:00
Martin Diehl 13630325c3 notation following paper
https://doi.org/10.1016/j.jmps.2016.10.012
DAMASK paper
2023-03-13 17:23:28 +01:00
Martin Diehl c1cb6a72c1 loops instead of code duplication 2023-03-12 13:40:45 +01:00
Martin Diehl 132640eed5 simplified 2023-03-12 13:40:45 +01:00
Franz Roters 8ce51dc4d8 Merge branch 'unit-test-Fortran' into 'development'
Unit test fortran

See merge request damask/DAMASK!744
2023-03-10 14:20:46 +00:00
Martin Diehl b0427584cb label and description were wrong 2023-03-10 06:34:59 +01:00
Philip Eisenlohr f3da19a8e2 drop little-used variables 2023-02-28 15:09:23 -05:00
Philip Eisenlohr a40524da02 rename to wrapLines; additional formatting options; whitespace trimming 2023-02-28 14:59:30 -05:00
Martin Diehl 95a953d25b more reasonable name 2023-02-28 07:58:10 +01:00
Martin Diehl 4f18b21111 Merge remote-tracking branch 'origin/development' into 95-report-origin-of-configuration-file 2023-02-28 07:36:36 +01:00
Martin Diehl 949bc39173 polishing 2023-02-28 07:34:11 +01:00
Martin Diehl f4f2176561 Deallocate numerics configuration 2023-02-27 11:34:03 +00:00
Martin Diehl 9418664604 report origin of configuration if given 2023-02-25 15:17:13 +01:00
Martin Diehl 04db45f5c0 functionality to report references in material.yaml 2023-02-25 12:13:27 +01:00
Martin Diehl 87e74ef792 docstring polishing 2023-02-25 10:07:38 +01:00
Martin Diehl 7dcfb036f9 more complicated test setup 2023-02-25 08:39:22 +01:00
Martin Diehl 2147ac3a12 base framework for unit testing in Fortran 2023-02-24 22:27:56 +01:00
Philip Eisenlohr dd4390fb75 Shorthand subroutines for standard HDF/MPI error checking to avoid code duplication 2023-02-22 15:50:10 +00:00
Sharan Roongta f7b0ae2041 Merge branch 'long-YAML-files' into 'development'
strlen returns 'size_t'

See merge request damask/DAMASK!723
2023-02-22 11:34:24 +00:00
Franz Roters 045352b8d2 Merge branch 'consistent-subroutine-calls' into 'development'
Consistent use of () in subroutine calling

See merge request damask/DAMASK!730
2023-02-21 15:18:17 +00:00
Philip Eisenlohr dde60ec53f Consistent use of () in subroutine calling 2023-02-21 15:18:17 +00:00
Martin Diehl 64b133e679 Merge branch 'fix-thermal-dissipation' into 'development'
calculate plastic dissipation based on M_p not S

See merge request damask/DAMASK!719
2023-02-20 00:13:45 +00:00
Martin Diehl ca2d184007 Merge remote-tracking branch 'origin/development' into long-YAML-files 2023-02-19 16:04:30 +01:00
Martin Diehl 8f3d9a9183 Resolve "function to handle default of optional arguments" 2023-02-18 20:30:57 +00:00
Martin Diehl 15f15c1d78 Merge branch 'LFCR-check' into 'development'
one more CRLF check

See merge request damask/DAMASK!725
2023-02-15 23:51:56 +00:00
Philip Eisenlohr 01719874ea one more CRLF check 2023-02-15 16:36:20 -05:00
Martin Diehl 0698c17ff2 improved documentation 2023-02-14 17:37:43 +01:00
Martin Diehl 3eb9545573 Merge branch 'development' into long-YAML-files 2023-02-14 17:33:48 +01:00
Franz Roters b4e706f099 Merge branch '260-remove-debug-yaml-assocciated-code-tests' into 'development'
debug.yaml causes more work than it saves

Closes #260

See merge request damask/DAMASK!717
2023-02-14 08:12:59 +00:00
Martin Diehl e5b7ad335f debug.yaml causes more work than it saves 2023-02-13 22:26:58 +01:00
Franz Roters 4c65047612 calculate plastic dissipation based on M_p not S 2023-02-13 17:59:22 +01:00
Daniel Otto de Mentock 335f61eec3 minor orthography adjustments 2023-02-11 14:30:12 +00:00
Martin Diehl 9e4db451d9 enable to write large strings
SIZE_T is the correct type (and 64bit instead of 32bit as for HSIZE_T)
for H5Tset_size_f
2023-02-11 08:11:35 +01:00
Martin Diehl 3e439503fe enable strings > 2Gb 2023-02-10 22:37:11 +01:00
Martin Diehl a2bde4a0f0 correct check for CRLF
old attempt tried to look only at forst occurence of LF but reported
CRLF also for LF endings.
2023-02-09 23:32:39 +01:00
Martin Diehl 4e57df9576 handle strings/YAML files > 2Gb (32 bit limit) 2023-02-08 08:49:08 +01:00
Martin Diehl 58c905d318 strlen returns 'size_t'
this is unsinged and on 64bit Linux (LP64) 64bit
2023-02-08 08:37:10 +01:00
Martin Diehl 8002f982c2 unused variable (leftover from stroring *.C_ref) 2023-02-04 09:58:58 +01:00
Martin Diehl a45a86cfbf mark DADF5 file layout as stable 2023-02-04 09:55:23 +01:00
Daniel Otto de Mentock 805fd06a8a Merge branch 'systematic-name' into 'development'
more systematic name

See merge request damask/DAMASK!708
2023-02-03 10:36:25 +00:00
Martin Diehl 13081dd655 relaxed tolerances needed on maws05 2023-02-01 19:27:04 +01:00
Daniel Otto de Mentock 786127af10 add some descriptions and correct wrong uppercase 2023-01-27 10:25:41 +01:00
Yi Hu 5e0377aac4 Merge branch 'development' of git.damask.mpie.de:damask/DAMASK into 258-damage-driving-force-and-damage-tests-need-update 2023-01-25 13:08:06 +01:00
Yi Hu dd74fa2d1d corr rW (use 0.5 prefactor) in isobrittle and related test upd 2023-01-23 15:27:44 +01:00
Daniel Otto de Mentock 510f59b4b5 Merge branch 'clean-MPI-exit' into 'development'
Clean MPI exit

See merge request damask/DAMASK!707
2023-01-23 13:10:33 +00:00
Martin Diehl 210dd8b497 report errors to STDERR 2023-01-23 11:45:03 +01:00
Daniel Otto de Mentock d11aca5fd4 Merge branch 'polish-grid' into 'development'
Polished grid code

See merge request damask/DAMASK!706
2023-01-23 09:56:52 +00:00
Martin Diehl 0880649dd9 more systematic name 2023-01-23 08:31:59 +01:00
Martin Diehl 68b583e4da Merge branch 'development' into clean-MPI-exit 2023-01-20 07:08:38 +01:00
Daniel Otto de Mentock 8a7655a9e3 Merge branch 'fix-github-actions' into 'development'
Fix github actions

See merge request damask/DAMASK!703
2023-01-19 17:29:55 +00:00
Sharan Roongta 4af29d0393 Merge branch '247-naming-for-classes' into 'development'
Resolve "naming for classes"

Closes #247

See merge request damask/DAMASK!699
2023-01-19 16:37:45 +00:00