Commit Graph

4563 Commits

Author SHA1 Message Date
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 

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

See merge request 
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 

See merge request 
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 

See merge request 
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  and 

See merge request 
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 

See merge request 
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 

See merge request 
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 
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 
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 
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 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 
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 
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 
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 

See merge request 
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 
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 
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