Commit Graph

4662 Commits

Author SHA1 Message Date
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