a1f797de3e
consistency
2023-07-16 22:43:10 +02:00
45dd387527
polarisation --> polarization
2023-07-16 22:04:18 +02:00
b54cf03d6d
allgather instead of allreduce+sum with contribution from 1 proc
2023-07-16 19:29:45 +02:00
054f548f4c
Merge remote-tracking branch 'origin/development' into restructure-numerics
2023-07-16 15:41:37 +02:00
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
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
09b0cc3101
avoid duplicated storage of solution vector/T
...
polished variable names and simplified expressions
2023-07-16 05:22:16 +02:00
e1630e4057
consistent naming with Python module
2023-07-15 23:10:29 +02:00
b235742472
clearer error messages
2023-07-14 10:23:23 -04:00
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
35b8d5fc7f
missing parameters of grid added to the current structure
2023-07-13 22:03:29 +02:00
12cb043d6d
grid solver related changes
2023-07-12 23:14:46 +02:00
7c875371a6
Merge branch 'development' into universal-error+warning-formatting
2023-07-12 09:31:37 -04:00
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
d9cf3983b4
more generic error codes
...
allow label without ID in IO_error
2023-07-12 12:47:52 +02:00
d452a9ce3f
use IO_error in CLI
2023-07-11 17:15:03 -04:00
4d8fc08a2f
shorter logic for addSetupFile
2023-07-11 16:11:59 -04:00
0e7c9f101c
avoid file name clashes
2023-07-11 20:45:20 +02:00
83db176e1b
specific error per missing mandatory argument
2023-07-11 13:19:31 -04:00
32810cbe8b
error formatting through function
2023-07-11 13:16:00 -04:00
70817606db
shorter logic for missing arguments
2023-07-11 12:35:23 -04:00
162a009aa9
helpful error messages
2023-07-11 15:11:17 +02:00
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
15e5bce7e4
indicate read-only access
2023-07-10 20:50:24 +02:00
cf74a687c5
not needed
2023-07-10 20:40:22 +02:00
4a1c6e7b4f
unified code
2023-07-10 20:34:06 +02:00
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
40b4062b83
reshape to expected shape
2023-07-06 14:39:36 +02:00
a8875677cd
Merge branch 'language-polish' into 'development'
...
Additional language polish
See merge request damask/DAMASK!765
2023-06-28 10:23:00 +00:00
d2c374624e
Additional language polish
2023-06-28 10:23:00 +00:00
453f0cdd7e
Merge branch 'development' into 298-forest-projections
2023-06-23 23:31:11 -04:00
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
3bb5319f79
Merge branch 'CLI-material' into 'development'
...
CLI-material
See merge request damask/DAMASK!763
2023-06-23 09:22:18 +00:00
e34ee25597
avoid access to unused variable, no need for nested function
2023-06-23 08:56:34 +02:00
4e7d953fe9
indent by format string; provide full commandline call
2023-06-22 22:59:44 -04:00
efc9391ca7
simplified
2023-06-23 00:06:44 +02:00
e197e45566
use existing functionality
2023-06-22 23:25:25 +02:00
a4c52fb119
no CamelCasing
2023-06-22 23:19:36 +02:00
fff811edd9
following Python (os.path.normpath, os.path.relpath)
2023-06-22 23:13:45 +02:00
5053c53ee4
don't rely on upper bound estimates for string length
2023-06-22 22:49:25 +02:00
a35d445294
consistent phase name reporting
2023-06-22 15:05:54 -04:00
28ebc8ef1a
inline math_expand for other constitutive laws
2023-06-22 14:50:18 -04:00
96de1abc04
forest projection of both edge and screw character with adjustment parameter f_edge
2023-06-22 14:16:27 -04:00
d4d3178717
Corrected labeling of {111} planes
2023-06-22 15:27:46 +00:00
0842bd503a
immediate parameter expansion over slip systems
2023-06-21 16:21:52 -04:00
e4a0b07225
removed confusing Schmid-Boas in favor of cleaner Thompson tetrahedron notation
2023-06-21 11:21:44 -04:00
da51fa5fdc
Reporting language polishing
2023-06-21 09:37:00 +00:00
cb6b1b30f5
shortened CLI reporting; condensed repeated CLI functions
2023-06-16 12:09:53 -04:00
1d8939efad
adjusted tests
2023-06-12 17:35:08 +02:00
d00bf2d3d5
causes problem for MARC
...
to be removed later
2023-06-09 14:10:31 +02:00
582f72377a
Merge remote-tracking branch 'origin/development' into CLI-material
2023-06-07 12:53:20 +02:00
2d0c7b2335
reading material.yaml from command line
2023-06-06 10:53:53 +02:00
11530c19bb
Merge remote-tracking branch 'origin/development' into 289-consistent-name-for-base-datatypes-in-fortran
2023-06-05 15:02:50 +02:00
0324e7ece1
parameters should be spelled in capitals
2023-06-04 13:52:31 +02:00
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'
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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'
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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'
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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
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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
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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
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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
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extra memory (one vector field) required
2022-11-19 13:05:12 +01:00
f22ff8fa25
avoid state-changing functions
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requires explicit padding, i.e. a little bit of code duplication
2022-11-19 12:36:56 +01:00
Sharan