Commit Graph

4802 Commits

Author SHA1 Message Date
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
Philip Eisenlohr b4a500a194 Resolve "naming for classes" 2023-01-19 16:37:45 +00:00
Martin Diehl 923ce05802 Merge remote-tracking branch 'origin/development' into allocatable-strings 2023-01-19 05:37:12 +01:00
Martin Diehl 327992871b white space and style adjustments 2023-01-18 18:50:01 +01:00
Martin Diehl e91c52f518 use common notation 2023-01-14 22:55:33 +01:00
Martin Diehl 1643fdf9fa consistent indexing 2023-01-14 22:46:00 +01:00
Martin Diehl 9464279eb5 better to understand 2023-01-14 22:34:05 +01:00
Martin Diehl 22de899aaa Merge remote-tracking branch 'origin/229-improved-handling-of-reference-stiffness' into development 2023-01-14 15:06:43 +01:00
Martin Diehl f6be4e11e8 Merge remote-tracking branch 'github-md/fix-github-actions' into development 2023-01-11 21:31:34 +01:00
Martin Diehl da0a15f63a string length is not know, avoid overflow 2023-01-10 11:54:13 +01:00
Sharan 7b6abafbb7 store data directly in HDF5 2023-01-10 02:03:32 +01:00
Martin Diehl 102d1b7995 avoid failing tests
stiffness matrices should have non-zero diagonal entries, for this
situation the implemented functionality works as expected
2023-01-09 23:38:51 +01:00
Franz Roters 545b813ec3 Merge branch 're-fit-temperature-dependent-parameters' into 'development'
re-fit temperature dependend parameters

See merge request damask/DAMASK!696
2023-01-09 11:19:36 +00:00
Martin Diehl 384bb8a262 avoid failing tests cause by limited floating point precision 2023-01-08 14:31:58 +01:00
Martin Diehl eb74d5a097 polishing 2023-01-08 11:54:42 +01:00
Martin Diehl 0185eda888 correct calculation of strain
was introduced when changing to Voigt notation in fa8218124a
2023-01-07 13:03:12 +01:00
Yi Hu 12c0919566 Merge branch '245-no-need-for-multiple-damage-mechanisms' into 'development'
competing damage models are not implemented

Closes #245

See merge request damask/DAMASK!689
2023-01-02 15:43:53 +00:00
Martin Diehl d3d904955a Merge branch 'Marc2022.4' into 'development'
Marc2022.4

See merge request damask/DAMASK!690
2022-12-31 08:08:04 +00:00
Franz Roters 71bd8efaa8 Marc2022.4 2022-12-31 08:08:04 +00:00
Martin Diehl 28ba8bb4ae Merge branch '141-solver-should-not-solve-for-field-if-homogenization-is-missing' into 'development'
solver should not solve for field if homogenization description is absent

Closes #141

See merge request damask/DAMASK!680
2022-12-29 19:08:05 +00:00
Sharan Roongta 5c221e16e1 solver should not solve for field if homogenization description is absent 2022-12-29 19:08:05 +00:00
Martin Diehl a2a4054a37 give explanation of unexpected code 2022-12-25 16:36:01 +01:00
Martin Diehl 38e6f4b49b Merge remote-tracking branch 'origin/select-mu' into development 2022-12-20 00:47:24 +01:00
Martin Diehl 4f69c7630d competing damage models are not implemented
while there might be the chance that we need this, we better focus on
today's capabilities and don't make the material.yaml syntax more
complicated in anticipation of potential changes
2022-12-18 09:34:25 +01:00