Commit Graph

4923 Commits

Author SHA1 Message Date
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
Martin Diehl 3a643d04c4 only valid/needed for GNU 2022-12-17 16:13:35 +01:00
Martin Diehl 548857c6a6 not needed 2022-12-17 16:10:25 +01:00
Martin Diehl 5f8ef4ac71 Merge branch 'grid-FEM-simplifications' into 'development'
style polishing

See merge request damask/DAMASK!686
2022-12-16 12:32:21 +00:00
Franz Roters 9bacd2ed5e Merge branch '233-unit-testing-for-yaml' into 'development'
a few more tests

Closes #233 and #239

See merge request damask/DAMASK!679
2022-12-16 08:40:31 +00:00
Yi Hu 0c989ef03e add short text for better understanding in CLI help for restart 2022-12-12 16:40:42 +01:00
Martin Diehl ede04c0264 style polishing 2022-12-11 18:16:13 +01:00
Martin Diehl e6c2e73e03 Merge remote-tracking branch 'origin/development' into 231-no-petscscalar-and-_range 2022-12-10 14:54:02 +01:00
Philip Eisenlohr 265572ffde Merge branch 'Marc2022.3' into 'development'
Marc2022.3

See merge request damask/DAMASK!670
2022-12-09 20:04:36 +00:00
Philip Eisenlohr 4830ea19c9 bug fix;more elaborate self test 2022-12-09 10:00:00 -05:00
Martin Diehl a9cb81b1cb functions are meant for proper files (ending with EOL) 2022-12-09 06:48:38 +01:00
Martin Diehl a3128d4021 avoid failing tests 2022-12-09 06:48:29 +01:00
Martin Diehl cca5d6d495 impoved naming 2022-12-09 06:48:16 +01:00
Martin Diehl 7b986f6f77 using new table functionality 2022-12-07 21:55:20 +01:00
Martin Diehl 06f8697bd1 manage tabulated data with linear interpolation in-between points 2022-12-07 21:44:44 +01:00
Martin Diehl aaae8a701b Fortran style adjustments 2022-12-07 17:29:03 +00:00
Daniel Otto de Mentock e8aeb4435d polishing 2022-12-07 14:33:33 +01:00
Martin Diehl b6610f4499 a few more tests 2022-12-07 13:03:42 +01:00
Sharan Roongta dc54f5935c lattice is an optional parameter;
argument order changed to reflect that
2022-12-07 12:53:22 +01:00
Philip Eisenlohr 65cb9d5997 Merge branch 'development' into 228-unit-tests-for-spectral-functionality 2022-12-05 11:07:43 -05:00
Philip Eisenlohr 71a75f1cc2 more informative error stop messages 2022-12-05 11:01:06 -05:00
Yi Hu b9ee401ff5 add damage restart functionality and associated tests 2022-12-05 10:52:59 +00:00
Daniel Otto de Mentock 7c6c46c2db return value of fftw function is defined as cdouble 2022-12-05 10:39:42 +01:00
Daniel Otto de Mentock c2e78158c8 petsc macros can be omitted with use of preal 2022-12-05 10:38:36 +01:00
Martin Diehl f61273c062 standard style 2022-12-02 20:41:47 +01:00
Martin Diehl 411c86b5ef following style guide 2022-12-01 19:52:53 +01:00
Martin Diehl 8493170419 testing equivalence of different code branches for imposed cubic
symmetry
2022-12-01 19:17:11 +01:00
Daniel Otto de Mentock a2f898a94c correcting function return type, indentation 2022-12-01 17:27:30 +01:00
Daniel Otto de Mentock b96576ce93 standardizing double definition across modules 2022-12-01 17:27:30 +01:00
Daniel Otto de Mentock 8fd4a0c084 petscscalar and pReal need to be equivalent 2022-12-01 17:26:25 +01:00
Sharan Roongta 07bbbdb380 avoid fixed length character arrays 2022-11-30 13:33:04 +01:00
Sharan Roongta 71fe8edd4c Merge remote-tracking branch 'origin/development' into select-mu 2022-11-30 11:11:34 +01:00
Philip Eisenlohr 3a3be7cdc8 have isostrain/stress replace voigt/reuss 2022-11-30 11:09:51 +01:00
Martin Diehl d364808c82 extending test to MPI parallel runs 2022-11-29 18:12:38 +01:00
Sharan Roongta 599e4472e8 Merge remote-tracking branch 'origin/development' into select-mu 2022-11-29 12:12:02 +01:00
Sharan Roongta 8b5fa37428 calculation of shear modulus for cubic crystals can be simplifieid, tests added for different crystal symmetries 2022-11-28 23:28:36 +01:00
Martin Diehl 0508fa9ec2 flatten solver data layout
avoid problem with chunking/compression (only relevant for large
simulations when this feature is used).
In addition, use a unified variable naming: no "_current" for
thermal and damage to follow example of mech.
2022-11-27 17:07:25 +01:00
Martin Diehl 39157b75b7 plane waves have known solutions 2022-11-27 16:53:53 +01:00
Martin Diehl 6be1d43dc6 gradient/curl/div of constant fields are zero 2022-11-26 10:37:54 +01:00
Philip Eisenlohr 8993b5caac Merge branch '232-residualstiffness-residualphi' into 'development'
better naming

Closes #232

See merge request damask/DAMASK!666
2022-11-25 15:12:54 +00:00
Franz Roters 36f050a085 Merge branch 'polish-YAML-parsing' into 'development'
Shorter YAML code

See merge request damask/DAMASK!663
2022-11-25 07:55:31 +00:00
Philip Eisenlohr af24d47b9a Shorter YAML code 2022-11-25 07:55:31 +00:00
Sharan Roongta 99673bb865 Merge branch '162-error-stress-bc-grid' into 'development'
avoid confusion during reporting

Closes #162

See merge request damask/DAMASK!662
2022-11-24 12:50:39 +00:00
Sharan Roongta 9d71ffa3ee better naming 2022-11-24 11:23:10 +01:00
Martin Diehl deb8ebeb5b avoid confusion during reporting
polarization needs to ensure BC for F and P
2022-11-24 09:47:48 +01:00
Martin Diehl 19fbfb0968 Merge branch '230-polynomial-get' into 'development'
removed superfluous asDict specification for polynomials arguments

Closes #230

See merge request damask/DAMASK!665
2022-11-24 06:58:17 +00:00
Franz Roters 6a701db211 support Marc 2022.3 2022-11-23 17:20:35 +01:00
Daniel Otto de Mentock b2fcd1ec1b Merge branch 'grid-spectral-simplifications' into 'development'
FFTW-related changes

Closes #206 and #216

See merge request damask/DAMASK!661
2022-11-22 18:24:03 +00:00
Daniel Otto de Mentock 3fb0b5d099 removed superfluous asDict specification for polynomials arguments 2022-11-22 14:20:19 +01:00
Philip Eisenlohr 762a5de6c9 Merge branch '205-name-for-coefficient-of-thermal-expansion' into 'development'
commonly used variable name

Closes #205

See merge request damask/DAMASK!660
2022-11-20 23:56:59 +00:00
Martin Diehl cad4cbc5d2 circument bug in gfortran
associate to strided pointer seems to cause trouble
2022-11-20 23:35:54 +01:00
Martin Diehl 2173c9e499 undo weighting needed for restart 2022-11-20 13:36:03 +01:00
Martin Diehl 34fb7e921a use self-documenting code
the comments did not anything that was not clear from the
variable/function names
2022-11-20 12:58:50 +01:00
Martin Diehl ef435ee7d1 commonly used variable name 2022-11-20 09:40:15 +01:00
Martin Diehl 9b80ff623b faster operation
explicit weighting not needed
2022-11-19 13:39:43 +01:00
Martin Diehl eb226d237f better readable 2022-11-19 13:27:32 +01:00
Martin Diehl 6db3b72c89 avoid global variables
extra memory (one vector field) required
2022-11-19 13:05:12 +01:00
Martin Diehl f22ff8fa25 avoid state-changing functions
requires explicit padding, i.e. a little bit of code duplication
2022-11-19 12:36:56 +01:00
Martin Diehl ad3c18b29b avoid use of global variables 2022-11-19 12:24:16 +01:00
Martin Diehl 7de3da50e7 include weighting operation into Gamma operator
avoids point-wise multiplication.
2022-11-19 12:05:31 +01:00
Martin Diehl cb6df618fe avoid global variables 2022-11-19 11:47:44 +01:00
Martin Diehl 18b8923929 centralize FFTs 2022-11-19 09:37:26 +01:00
Martin Diehl cd2a21509a avoid depenencies on global state
requires on extra forward FFT pre iteration for basic scheme
2022-11-19 09:01:57 +01:00
Martin Diehl 20da5663c0 simplified, avoid intermediate writes 2022-11-19 08:14:38 +01:00
Martin Diehl ce98cfdd5e padding is handled centrally in the FFT forward routines 2022-11-19 07:58:45 +01:00
Franz Roters bdd85a414c support for MSC.Marc 2022.2 2022-11-17 07:12:27 +00:00
Sharan Roongta 1264d8dfc1 allow selection of modulus 2022-11-11 19:36:55 +01:00
Philip Eisenlohr 46e2bbf80c correct unit for quaternion output O 2022-11-08 13:10:37 -05:00
Philip Eisenlohr 0ab9adcb5e fix Kichhoff typos 2022-11-02 20:23:56 +00:00
Daniel Otto de Mentock a1b91e5fcf Merge branch '202_MPI-random-seed' into 'development'
avoid repeated random sequences on different processes

Closes #202

See merge request damask/DAMASK!639
2022-10-31 11:29:50 +00:00
Philip Eisenlohr c507e2d3b6 avoid potenttial out-of-bounds memory access 2022-10-27 15:56:59 -04:00
Philip Eisenlohr 5c688345ed more verbose and specific messaging in self-test and errors 2022-10-27 15:39:48 -04:00
Martin Diehl ae3b049d30 avoid repeated random sequences on different processes
we don't use random numbers a lot and there are no reported problems
yet.
Still, this is safer.
2022-10-27 09:21:37 +02:00
Franz Roters 9149e760f6 Merge branch 'dislotwin-parameters' into 'development'
example files for TWIP/TRIP

See merge request damask/DAMASK!636
2022-10-26 06:59:59 +00:00
Martin Diehl 28ea09050d polishing 2022-10-25 23:18:22 +02:00
Martin Diehl df5487e1a9 Re-written YAML types
Strict typing for YAML

New access pattern requires to specify the expected type, i.e. 'scalar', 'list', or 'dict'. This ensures that the node offers the expected functionality instead of polluting 'tNode' with dummy functions which throw error messages if not overwritten.

The restructuring of the code allows to hierarchically construct methods without much code duplication.

Some aspects of the error messaging system have been improved.
2022-10-25 16:09:36 +00:00
Martin Diehl 7831aa5ce8 Merge remote-tracking branch 'origin/development' into dislotwin-parameters 2022-10-23 12:31:30 +02:00
Martin Diehl bf0113a737 avoid HDF5 error in case of empty dataset 2022-10-20 01:09:03 +02:00
Franz Roters 027d77e9f7 Merge branch 'long-PETSc-lines' into 'development'
length of macro seems to depend on PETSc location

See merge request damask/DAMASK!632
2022-10-19 10:32:15 +00:00
Martin Diehl d315aac163 use sourced allocation 2022-10-15 21:54:03 +02:00
Daniel Otto de Mentock 592936f21f missing allocation statement was causing gnu and intel debug compiler to fail 2022-10-14 11:44:42 +02:00
Martin Diehl 8937967067 length of macro seems to depend on PETSc location 2022-10-13 13:08:13 +02:00
Martin Diehl 2e24ce4770 Merge branch 'phenopowerlaw_fix_clean' into 'development'
asymptotic hardening respects own (not other) saturation

See merge request damask/DAMASK!631
2022-10-13 07:54:47 +00:00
Sharan Roongta 759c95471c asymptotic hardening respects own (not other) saturation
from @p.eisenlohr
2022-10-07 19:00:09 +02:00
Martin Diehl 0ca4d42678 PETSc 3.18.0 compatibility
CHKERR macros are now longer, should be replaced with PetscCall in the
future
2022-10-02 12:48:54 +02:00
Sharan Roongta dd3b385ae5 correct dotT passed 2022-09-29 15:04:57 +02:00
Martin Diehl 0c83245d4b example files for TWIP/TRIP
I'm not able to reproduce the results from https://doi.org/10.1016/j.actamat.2016.07.032,
but these parameters give results that are qualitatively ok
2022-09-22 16:39:23 +02:00
Yi Hu bb65d58214 add read-in init phi, correct write-out damage result 2022-09-21 08:50:00 +02:00
Martin Diehl 784cd3405e clean termination in case of MPI runs (no deadlock) 2022-09-10 23:53:59 +02:00
Martin Diehl 1add486115 don't rely on PETSc for MPI init 2022-09-10 23:37:39 +02:00
Martin Diehl b11ca71786 no need to pass determinant if not needed 2022-09-10 10:31:18 +02:00
Martin Diehl 043415c4bb unused and untested 2022-08-31 09:06:11 +00:00
Franz Roters 8c097b08d5 missing declaration 2022-08-29 16:08:24 +02:00
Martin Diehl 0b9597e74e better error message/simpler code 2022-08-16 18:26:50 +02:00
Martin Diehl fbc6a1ebbf following naming convention
the variable is NOT related to the base64 module
2022-08-16 17:10:49 +02:00
Martin Diehl 237bda5ccf ensuring matching domain decomposition for all transforms 2022-07-29 07:29:20 +02:00
Martin Diehl aee8ecd43d Merge remote-tracking branch 'origin/development' into prepare-transposed-FFTW 2022-07-29 07:27:12 +02:00
Daniel Otto de Mentock 27a8610d92 loops over tensors in fourier space need to correspond to transposed structure 2022-07-22 14:58:30 +02:00
Daniel Otto de Mentock b1257d6b54 correcting wrong access to scalarfield_fourier 2022-07-19 14:47:05 +02:00
Daniel Otto de Mentock dda157aa5a accesses to fourier space tensors now need to correspond to transposed structure 2022-07-13 14:10:13 +02:00
Sharan Roongta bb63048a0f Merge branch 'implicit-none-external' into 'development'
implicit none cover external

See merge request damask/DAMASK!610
2022-07-08 11:43:19 +00:00
Martin Diehl ec0c486a2c transition to transposed storage 2022-07-06 18:01:39 +02:00
Sharan c3ba8b6588 dot state is 0 in isibrittle 2022-07-02 18:59:21 +02:00
Martin Diehl 771ccb4485 testing average behavior 2022-07-01 14:33:10 +02:00
Martin Diehl fc76f9f60f preparing for use of transposed data in Fourier space 2022-06-30 22:23:27 +02:00
Martin Diehl 44ecedc7b0 unified names 2022-06-30 22:01:35 +02:00
Martin Diehl af2eb3e51d systematic names 2022-06-30 21:59:21 +02:00
Martin Diehl ef8f0becd4 only used within module 2022-06-30 21:45:49 +02:00
Martin Diehl 64fad03b97 explicit casting 2022-06-27 23:39:54 +02:00
Martin Diehl 60e097a04e something is wrong with interfaces for 64 bit 2022-06-27 22:35:29 +02:00
Martin Diehl de1633f420 limit access 2022-06-27 21:51:44 +02:00
Martin Diehl 61dc14e0b9 Merge remote-tracking branch 'origin/development' into implicit-none-external 2022-06-27 15:13:20 +02:00
Daniel Otto de Mentock de89d0fe38 Merge branch 'Marc-Precision-handling' into 'development'
Marc precision handling

See merge request damask/DAMASK!607
2022-06-27 08:37:41 +00:00
Martin Diehl 3b57934d6e Marc precision handling 2022-06-27 08:37:41 +00:00
Martin Diehl 445a091fec easier to understand 2022-06-24 07:36:25 +02:00
Martin Diehl 2f1904efec only MPI_f08 is standard conforming 2022-06-21 23:11:22 +02:00
Martin Diehl b8c3d75700 [skip sc] enforce interfaces (quick fix: declare as external) 2022-06-21 22:59:01 +02:00
Martin Diehl 074cdf5dff following default style 2022-06-15 20:15:35 +02:00
Martin Diehl 0b8473d7ec Merge remote-tracking branch 'origin/development' into polishing 2022-06-15 20:13:39 +02:00
Martin Diehl 703798b080 test needs update after change of parameter names for sb 2022-06-15 08:31:25 +02:00
Martin Diehl 576c79a619 following DAMASK paper 2022-06-13 14:08:45 +02:00
Martin Diehl 0d63284c01 increase test coverage 2022-06-12 16:16:25 +02:00
Martin Diehl f60c950a7c numerically better normalization
slightly more expensive, but guarantees a det(R) = 1.0
2022-06-12 10:25:14 +02:00
Martin Diehl 9f4e354b12 polishing 2022-06-11 23:12:30 +02:00
Martin Diehl 9e0a0ee166 not needed 2022-06-11 23:04:21 +02:00
Martin Diehl f8833043b3 consistent capitalization 2022-06-08 23:28:41 +02:00
Martin Diehl 78838c2f75 consistent variants including space 2022-06-08 23:27:09 +02:00
Sharan Roongta fa974574af Merge branch 'consistent-damage-parameter-names' into 'development'
Consistent damage parameter names

See merge request damask/DAMASK!593
2022-06-04 11:27:28 +00:00
Martin Diehl 1b5194288b polished tests, consistent variable name 2022-06-04 07:26:45 +02:00
Franz Roters 5155a3f958 Merge branch 'MPI-FFTW-fix' into 'development'
bugfix: prevent segmentation fault

Closes #192

See merge request damask/DAMASK!595
2022-06-02 16:13:24 +00:00
Martin Diehl b8530bbcc9 Merge branch 'implicit-none-in-interface' into 'development'
implicit none does not propagate

See merge request damask/DAMASK!596
2022-05-31 12:06:03 +00:00
Philip Eisenlohr 3d10d29254 Merge branch 'warning-error-cleanup' into 'development'
more flexible error/warning handling

See merge request damask/DAMASK!594
2022-05-28 16:56:53 +00:00
Martin Diehl d858d753e3 implicit none does not propagate
each subroutine/function is independent and not part of a scope
2022-05-27 22:38:47 +02:00
Martin Diehl 6fa87b4038 not needed anymore 2022-05-27 20:58:18 +02:00
Martin Diehl 2bfcc4d0b8 standardized reporting 2022-05-27 20:53:16 +02:00
Martin Diehl b56ded62d9 encapsulate data, prefix only public functions 2022-05-27 18:01:40 +02:00
Philip Eisenlohr f85e8a3ff4 more precise warning for fftw_plan_mode 2022-05-27 12:00:53 -04:00
Philip Eisenlohr 75bd643258 more precise warning for fftw_plan_mode 2022-05-27 11:58:10 -04:00
Philip Eisenlohr d66c777d6e introduced "IO_panel" to write statements to STDERR 2022-05-27 11:47:14 -04:00
Martin Diehl dc59beb59c following advince from FFTW3 manual
silences a lot of gfortran warnings about unused variables
2022-05-27 09:54:00 +02:00
Martin Diehl 064b9c5cc4 bugfix: prevent segmentation fault
need to rely on FFTWs calculation for amount of storage needed
2022-05-27 09:53:04 +02:00
Martin Diehl 6c6b3e64b3 more flexible reporting 2022-05-27 09:38:47 +02:00
Martin Diehl cfa2be44e9 internal errors should trigger error stop 2022-05-27 08:48:42 +02:00
Martin Diehl f7d23ad151 internal variable, no prefix needed 2022-05-27 08:40:01 +02:00
Martin Diehl f31dd8cbe8 unknown error/warning numbers are internal errors 2022-05-27 08:34:52 +02:00
Martin Diehl f90523eb07 more flexible reporting 2022-05-27 08:33:50 +02:00
Martin Diehl 5f0ae4fe7a user errors are catched earlier
internal errors (essentially programming faults) should stop with 'error
stop'
2022-05-27 06:41:55 +02:00
Martin Diehl 79fad5ca19 IP was only used for an argument that is NOT the IP ID 2022-05-27 06:41:15 +02:00
Martin Diehl 1d4c476cd4 collect errors for more helpful message 2022-05-27 06:30:25 +02:00
Martin Diehl d5db083fec more convenient to see all invalid parameters 2022-05-27 00:25:25 +02:00
Martin Diehl 7a23699aa4 not needed
error occurs in <phase ... init>
2022-05-27 00:24:40 +02:00
Martin Diehl 724c4fcf5d not used
ip,el,g is anyways not flexible enough. Remove unused arguments before
developing a more flexible approach
2022-05-27 00:23:51 +02:00
Martin Diehl 19b78cb647 easier to read 2022-05-26 23:29:06 +02:00
Martin Diehl 82cad00f81 simplified interface 2022-05-26 19:07:23 +02:00
Martin Diehl a514d30060 standardized names 2022-05-26 19:03:29 +02:00
Martin Diehl 77f586b1d7 Merge remote-tracking branch 'origin/development' into consistent-damage-parameter-names 2022-05-22 23:35:42 +02:00
Martin Diehl f42bb5d175 mitigate rounding errors 2022-05-20 06:43:32 +02:00
Martin Diehl 491e2ec0b2 avoid negative zero when not needed 2022-05-20 06:30:07 +02:00
Martin Diehl 6b6c2548c5 Merge branch 'development' into initial-V_e 2022-05-19 17:03:09 +02:00
Martin Diehl 41a732f62d assumed rank solution gives wrong results #194 2022-05-19 16:38:37 +02:00
Martin Diehl 556d9d840e specifying V_e is more natural than F_i 2022-05-19 01:15:17 +02:00
Daniel Otto de Mentock 85fa92ee1f Merge branch 'use-openMP-module' into 'development'
using the module is the recommended approach

See merge request damask/DAMASK!582
2022-05-17 12:57:15 +00:00
Daniel Otto de Mentock 5f3203cecf Merge branch 'element-cleanup' into 'development'
only relevant for Marc

See merge request damask/DAMASK!583
2022-05-17 12:56:50 +00:00
Martin Diehl c0bb576117 Merge remote-tracking branch 'origin/development' into sigint-to-quit 2022-05-13 11:58:18 +02:00
Martin Diehl 3f85027b9e better use SIGINT for actions triggered by the user
SIGTERM is send by MPI if one process fails, catching it results in
deadlocks
2022-05-13 11:58:03 +02:00
Martin Diehl 6b17787be1 only relevant for Marc 2022-05-13 10:02:02 +02:00
Martin Diehl 05d3a92944 using the module is the recommended approach 2022-05-13 08:43:24 +02:00
Martin Diehl 6f7e8491bc Merge branch 'Marc2022.1' into 'development'
Marc2022.1

See merge request damask/DAMASK!579
2022-05-12 20:38:25 +00:00
Martin Diehl 0b6ead1a48 avoid console-spam during initialization 2022-05-12 15:36:12 +02:00
Martin Diehl 53796fce7a trustworthy reference 2022-05-08 20:10:12 +02:00
Martin Diehl b376b10b7a classic Intel gives FPE 2022-05-08 17:47:20 +02:00
Martin Diehl 10d8a63cb6 not used
and current code is not good (not using Horner scheme)
2022-05-08 17:18:15 +02:00
Martin Diehl d713026f7e fast evaluation for (most common) case of constant 2022-05-08 16:49:30 +02:00
Martin Diehl b2052cb3c7 less strict tolerances
values can be in the order of 1e5, so 1e-6 precision is not too bad
2022-05-08 16:41:19 +02:00
Martin Diehl 8f9fbb30e5 use fused multiply-add where possible
only possible for Intel compiler
2022-05-08 15:48:13 +02:00
Martin Diehl 5b8e5591ed Merge remote-tracking branch 'origin/development' into order4-polynomial 2022-05-08 14:35:48 +02:00
Martin Diehl 240426402c using (faster) Horner evaluation
https://rosettacode.org/wiki/Horner%27s_rule_for_polynomial_evaluation
2022-05-08 13:32:14 +02:00
Martin Diehl 72c29f744c better tests 2022-05-08 12:49:29 +02:00
Martin Diehl 7d18ed307d hickup in documentation 2022-05-08 09:30:26 +02:00
Martin Diehl 2741fbd977 whitespace adjustments
- 1 empty line between dummy arguments/return value
- 2 empty lines between variable definition and actual code
2022-05-08 09:27:21 +02:00