319489fad8
consistent with usage in other modules
2023-06-04 13:52:23 +02:00
ca1c22874b
consistent and short
2023-06-04 13:51:05 +02:00
d00a530d2d
f_phi factor corrected
2023-06-04 13:42:00 +02:00
d0b832e6f1
consistent with naming in HDF5_utilities
2023-06-03 17:06:32 +02:00
a5ce0f9b1e
self test failed once, relaxing tolerances
2023-05-31 13:13:26 +02:00
7caf483dd9
standard documentation style (following numpy doc)
2023-04-19 07:51:54 +02:00
f8875db044
unused leftover
2023-04-19 06:58:33 +02:00
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
563f908d0c
testing misc functionality
2023-04-14 11:17:29 +02:00
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
7d1433875d
PETSc 3.19 is out
2023-04-13 20:13:01 +02:00
d9d611b5a0
Merge branch 'optional-not-needed' into 'development'
...
optional propagates
See merge request damask/DAMASK!749
2023-04-13 14:30:02 +00:00
58141210a2
optional propagates
2023-04-12 05:56:11 +02:00
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
043d48d4d3
correct unit
2023-03-21 22:41:52 +01:00
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
13630325c3
notation following paper
...
https://doi.org/10.1016/j.jmps.2016.10.012
DAMASK paper
2023-03-13 17:23:28 +01:00
c1cb6a72c1
loops instead of code duplication
2023-03-12 13:40:45 +01:00
132640eed5
simplified
2023-03-12 13:40:45 +01:00
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
b0427584cb
label and description were wrong
2023-03-10 06:34:59 +01:00
f3da19a8e2
drop little-used variables
2023-02-28 15:09:23 -05:00
a40524da02
rename to wrapLines; additional formatting options; whitespace trimming
2023-02-28 14:59:30 -05:00
95a953d25b
more reasonable name
2023-02-28 07:58:10 +01:00
4f18b21111
Merge remote-tracking branch 'origin/development' into 95-report-origin-of-configuration-file
2023-02-28 07:36:36 +01:00
949bc39173
polishing
2023-02-28 07:34:11 +01:00
f4f2176561
Deallocate numerics configuration
2023-02-27 11:34:03 +00:00
9418664604
report origin of configuration if given
2023-02-25 15:17:13 +01:00
04db45f5c0
functionality to report references in material.yaml
2023-02-25 12:13:27 +01:00
87e74ef792
docstring polishing
2023-02-25 10:07:38 +01:00
7dcfb036f9
more complicated test setup
2023-02-25 08:39:22 +01:00
2147ac3a12
base framework for unit testing in Fortran
2023-02-24 22:27:56 +01:00
dd4390fb75
Shorthand subroutines for standard HDF/MPI error checking to avoid code duplication
2023-02-22 15:50:10 +00:00
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
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
dde60ec53f
Consistent use of () in subroutine calling
2023-02-21 15:18:17 +00:00
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
ca2d184007
Merge remote-tracking branch 'origin/development' into long-YAML-files
2023-02-19 16:04:30 +01:00
8f3d9a9183
Resolve "function to handle default of optional arguments"
2023-02-18 20:30:57 +00:00
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
01719874ea
one more CRLF check
2023-02-15 16:36:20 -05:00
0698c17ff2
improved documentation
2023-02-14 17:37:43 +01:00
3eb9545573
Merge branch 'development' into long-YAML-files
2023-02-14 17:33:48 +01:00
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
e5b7ad335f
debug.yaml causes more work than it saves
2023-02-13 22:26:58 +01:00
4c65047612
calculate plastic dissipation based on M_p not S
2023-02-13 17:59:22 +01:00
335f61eec3
minor orthography adjustments
2023-02-11 14:30:12 +00:00
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
3e439503fe
enable strings > 2Gb
2023-02-10 22:37:11 +01:00
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
4e57df9576
handle strings/YAML files > 2Gb (32 bit limit)
2023-02-08 08:49:08 +01:00
58c905d318
strlen returns 'size_t'
...
this is unsinged and on 64bit Linux (LP64) 64bit
2023-02-08 08:37:10 +01:00
8002f982c2
unused variable (leftover from stroring *.C_ref)
2023-02-04 09:58:58 +01:00
a45a86cfbf
mark DADF5 file layout as stable
2023-02-04 09:55:23 +01:00
805fd06a8a
Merge branch 'systematic-name' into 'development'
...
more systematic name
See merge request damask/DAMASK!708
2023-02-03 10:36:25 +00:00
13081dd655
relaxed tolerances needed on maws05
2023-02-01 19:27:04 +01:00
786127af10
add some descriptions and correct wrong uppercase
2023-01-27 10:25:41 +01:00
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
dd74fa2d1d
corr rW (use 0.5 prefactor) in isobrittle and related test upd
2023-01-23 15:27:44 +01:00
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
210dd8b497
report errors to STDERR
2023-01-23 11:45:03 +01:00
d11aca5fd4
Merge branch 'polish-grid' into 'development'
...
Polished grid code
See merge request damask/DAMASK!706
2023-01-23 09:56:52 +00:00
0880649dd9
more systematic name
2023-01-23 08:31:59 +01:00
68b583e4da
Merge branch 'development' into clean-MPI-exit
2023-01-20 07:08:38 +01:00
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
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
b4a500a194
Resolve "naming for classes"
2023-01-19 16:37:45 +00:00
923ce05802
Merge remote-tracking branch 'origin/development' into allocatable-strings
2023-01-19 05:37:12 +01:00
327992871b
white space and style adjustments
2023-01-18 18:50:01 +01:00
e91c52f518
use common notation
2023-01-14 22:55:33 +01:00
1643fdf9fa
consistent indexing
2023-01-14 22:46:00 +01:00
9464279eb5
better to understand
2023-01-14 22:34:05 +01:00
22de899aaa
Merge remote-tracking branch 'origin/229-improved-handling-of-reference-stiffness' into development
2023-01-14 15:06:43 +01:00
f6be4e11e8
Merge remote-tracking branch 'github-md/fix-github-actions' into development
2023-01-11 21:31:34 +01:00
da0a15f63a
string length is not know, avoid overflow
2023-01-10 11:54:13 +01:00
7b6abafbb7
store data directly in HDF5
2023-01-10 02:03:32 +01:00
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
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
384bb8a262
avoid failing tests cause by limited floating point precision
2023-01-08 14:31:58 +01:00
eb74d5a097
polishing
2023-01-08 11:54:42 +01:00
0185eda888
correct calculation of strain
...
was introduced when changing to Voigt notation in fa8218124a
2023-01-07 13:03:12 +01:00
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
d3d904955a
Merge branch 'Marc2022.4' into 'development'
...
Marc2022.4
See merge request damask/DAMASK!690
2022-12-31 08:08:04 +00:00
71bd8efaa8
Marc2022.4
2022-12-31 08:08:04 +00:00
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
5c221e16e1
solver should not solve for field if homogenization description is absent
2022-12-29 19:08:05 +00:00
a2a4054a37
give explanation of unexpected code
2022-12-25 16:36:01 +01:00
38e6f4b49b
Merge remote-tracking branch 'origin/select-mu' into development
2022-12-20 00:47:24 +01:00
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
3a643d04c4
only valid/needed for GNU
2022-12-17 16:13:35 +01:00
548857c6a6
not needed
2022-12-17 16:10:25 +01:00
5f8ef4ac71
Merge branch 'grid-FEM-simplifications' into 'development'
...
style polishing
See merge request damask/DAMASK!686
2022-12-16 12:32:21 +00:00
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
0c989ef03e
add short text for better understanding in CLI help for restart
2022-12-12 16:40:42 +01:00
ede04c0264
style polishing
2022-12-11 18:16:13 +01:00
e6c2e73e03
Merge remote-tracking branch 'origin/development' into 231-no-petscscalar-and-_range
2022-12-10 14:54:02 +01:00
265572ffde
Merge branch 'Marc2022.3' into 'development'
...
Marc2022.3
See merge request damask/DAMASK!670
2022-12-09 20:04:36 +00:00
4830ea19c9
bug fix;more elaborate self test
2022-12-09 10:00:00 -05:00
a9cb81b1cb
functions are meant for proper files (ending with EOL)
2022-12-09 06:48:38 +01:00
a3128d4021
avoid failing tests
2022-12-09 06:48:29 +01:00
cca5d6d495
impoved naming
2022-12-09 06:48:16 +01:00
7b986f6f77
using new table functionality
2022-12-07 21:55:20 +01:00
06f8697bd1
manage tabulated data with linear interpolation in-between points
2022-12-07 21:44:44 +01:00
aaae8a701b
Fortran style adjustments
2022-12-07 17:29:03 +00:00
e8aeb4435d
polishing
2022-12-07 14:33:33 +01:00
b6610f4499
a few more tests
2022-12-07 13:03:42 +01:00
dc54f5935c
lattice is an optional parameter;
...
argument order changed to reflect that
2022-12-07 12:53:22 +01:00
65cb9d5997
Merge branch 'development' into 228-unit-tests-for-spectral-functionality
2022-12-05 11:07:43 -05:00
71a75f1cc2
more informative error stop messages
2022-12-05 11:01:06 -05:00
b9ee401ff5
add damage restart functionality and associated tests
2022-12-05 10:52:59 +00:00
7c6c46c2db
return value of fftw function is defined as cdouble
2022-12-05 10:39:42 +01:00
c2e78158c8
petsc macros can be omitted with use of preal
2022-12-05 10:38:36 +01:00
f61273c062
standard style
2022-12-02 20:41:47 +01:00
411c86b5ef
following style guide
2022-12-01 19:52:53 +01:00
8493170419
testing equivalence of different code branches for imposed cubic
...
symmetry
2022-12-01 19:17:11 +01:00
a2f898a94c
correcting function return type, indentation
2022-12-01 17:27:30 +01:00
b96576ce93
standardizing double definition across modules
2022-12-01 17:27:30 +01:00
8fd4a0c084
petscscalar and pReal need to be equivalent
2022-12-01 17:26:25 +01:00
07bbbdb380
avoid fixed length character arrays
2022-11-30 13:33:04 +01:00
71fe8edd4c
Merge remote-tracking branch 'origin/development' into select-mu
2022-11-30 11:11:34 +01:00
3a3be7cdc8
have isostrain/stress replace voigt/reuss
2022-11-30 11:09:51 +01:00
d364808c82
extending test to MPI parallel runs
2022-11-29 18:12:38 +01:00
599e4472e8
Merge remote-tracking branch 'origin/development' into select-mu
2022-11-29 12:12:02 +01:00
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
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
39157b75b7
plane waves have known solutions
2022-11-27 16:53:53 +01:00
6be1d43dc6
gradient/curl/div of constant fields are zero
2022-11-26 10:37:54 +01:00
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
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
af24d47b9a
Shorter YAML code
2022-11-25 07:55:31 +00:00
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
9d71ffa3ee
better naming
2022-11-24 11:23:10 +01:00
deb8ebeb5b
avoid confusion during reporting
...
polarization needs to ensure BC for F and P
2022-11-24 09:47:48 +01:00
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
6a701db211
support Marc 2022.3
2022-11-23 17:20:35 +01:00
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
3fb0b5d099
removed superfluous asDict specification for polynomials arguments
2022-11-22 14:20:19 +01:00
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
cad4cbc5d2
circument bug in gfortran
...
associate to strided pointer seems to cause trouble
2022-11-20 23:35:54 +01:00
2173c9e499
undo weighting needed for restart
2022-11-20 13:36:03 +01:00
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
ef435ee7d1
commonly used variable name
2022-11-20 09:40:15 +01:00
9b80ff623b
faster operation
...
explicit weighting not needed
2022-11-19 13:39:43 +01:00
eb226d237f
better readable
2022-11-19 13:27:32 +01:00
6db3b72c89
avoid global variables
...
extra memory (one vector field) required
2022-11-19 13:05:12 +01:00
f22ff8fa25
avoid state-changing functions
...
requires explicit padding, i.e. a little bit of code duplication
2022-11-19 12:36:56 +01:00
ad3c18b29b
avoid use of global variables
2022-11-19 12:24:16 +01:00
7de3da50e7
include weighting operation into Gamma operator
...
avoids point-wise multiplication.
2022-11-19 12:05:31 +01:00
cb6df618fe
avoid global variables
2022-11-19 11:47:44 +01:00
18b8923929
centralize FFTs
2022-11-19 09:37:26 +01:00
cd2a21509a
avoid depenencies on global state
...
requires on extra forward FFT pre iteration for basic scheme
2022-11-19 09:01:57 +01:00
20da5663c0
simplified, avoid intermediate writes
2022-11-19 08:14:38 +01:00
ce98cfdd5e
padding is handled centrally in the FFT forward routines
2022-11-19 07:58:45 +01:00
bdd85a414c
support for MSC.Marc 2022.2
2022-11-17 07:12:27 +00:00
1264d8dfc1
allow selection of modulus
2022-11-11 19:36:55 +01:00
46e2bbf80c
correct unit for quaternion output O
2022-11-08 13:10:37 -05:00
0ab9adcb5e
fix Kichhoff typos
2022-11-02 20:23:56 +00:00
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
c507e2d3b6
avoid potenttial out-of-bounds memory access
2022-10-27 15:56:59 -04:00
5c688345ed
more verbose and specific messaging in self-test and errors
2022-10-27 15:39:48 -04:00
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
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
28ea09050d
polishing
2022-10-25 23:18:22 +02:00
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
7831aa5ce8
Merge remote-tracking branch 'origin/development' into dislotwin-parameters
2022-10-23 12:31:30 +02:00
bf0113a737
avoid HDF5 error in case of empty dataset
2022-10-20 01:09:03 +02:00
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
d315aac163
use sourced allocation
2022-10-15 21:54:03 +02:00
592936f21f
missing allocation statement was causing gnu and intel debug compiler to fail
2022-10-14 11:44:42 +02:00
8937967067
length of macro seems to depend on PETSc location
2022-10-13 13:08:13 +02:00
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
759c95471c
asymptotic hardening respects own (not other) saturation
...
from @p.eisenlohr
2022-10-07 19:00:09 +02:00
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
dd3b385ae5
correct dotT passed
2022-09-29 15:04:57 +02:00
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
bb65d58214
add read-in init phi, correct write-out damage result
2022-09-21 08:50:00 +02:00
784cd3405e
clean termination in case of MPI runs (no deadlock)
2022-09-10 23:53:59 +02:00
1add486115
don't rely on PETSc for MPI init
2022-09-10 23:37:39 +02:00
b11ca71786
no need to pass determinant if not needed
2022-09-10 10:31:18 +02:00
043415c4bb
unused and untested
2022-08-31 09:06:11 +00:00
8c097b08d5
missing declaration
2022-08-29 16:08:24 +02:00
0b9597e74e
better error message/simpler code
2022-08-16 18:26:50 +02:00
fbc6a1ebbf
following naming convention
...
the variable is NOT related to the base64 module
2022-08-16 17:10:49 +02:00
237bda5ccf
ensuring matching domain decomposition for all transforms
2022-07-29 07:29:20 +02:00
aee8ecd43d
Merge remote-tracking branch 'origin/development' into prepare-transposed-FFTW
2022-07-29 07:27:12 +02:00
27a8610d92
loops over tensors in fourier space need to correspond to transposed structure
2022-07-22 14:58:30 +02:00
b1257d6b54
correcting wrong access to scalarfield_fourier
2022-07-19 14:47:05 +02:00
dda157aa5a
accesses to fourier space tensors now need to correspond to transposed structure
2022-07-13 14:10:13 +02:00
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
ec0c486a2c
transition to transposed storage
2022-07-06 18:01:39 +02:00
c3ba8b6588
dot state is 0 in isibrittle
2022-07-02 18:59:21 +02:00
771ccb4485
testing average behavior
2022-07-01 14:33:10 +02:00
fc76f9f60f
preparing for use of transposed data in Fourier space
2022-06-30 22:23:27 +02:00
44ecedc7b0
unified names
2022-06-30 22:01:35 +02:00
af2eb3e51d
systematic names
2022-06-30 21:59:21 +02:00
ef8f0becd4
only used within module
2022-06-30 21:45:49 +02:00
64fad03b97
explicit casting
2022-06-27 23:39:54 +02:00
60e097a04e
something is wrong with interfaces for 64 bit
2022-06-27 22:35:29 +02:00
de1633f420
limit access
2022-06-27 21:51:44 +02:00
61dc14e0b9
Merge remote-tracking branch 'origin/development' into implicit-none-external
2022-06-27 15:13:20 +02:00
Martin Diehl