d130225c9f
polishing
2021-12-31 08:12:17 +01:00
da00f33487
transformation is only for fcc
2021-12-31 08:11:12 +01:00
1661b815b2
correct calculation of temperature dependent stacking fault energy
2021-12-31 08:11:01 +01:00
de9183af4e
functions without side-effects are 'pure'
...
basically all 'getter' functions should be pure
2021-12-31 08:10:49 +01:00
95c64f7a0a
avoid failing self test
...
increase number of samples to have less corner cases.
Needs to be allocatable to avoid stack/heap issue on ifort
2021-12-31 08:10:09 +01:00
fb51e3c4cd
functions have no side-effects, hence 'pure'
2021-12-29 07:19:26 +01:00
59bb264b5f
LAPACK routines can be considered pure
...
all arguments have 'intent' specification and don't access any global
variables.
output to screen only occurs in the case that someting goes wrong
2021-12-29 07:09:52 +01:00
4583c17080
corrent 'intent' specification
...
- http://www.netlib.org/lapack/explore-html/d7/d3b/group__double_g_esolve_ga5ee879032a8365897c3ba91e3dc8d512.html
- http://www.netlib.org/lapack/explore-html/dd/d9a/group__double_g_ecomputational_ga56d9c860ce4ce42ded7f914fdb0683ff.html
2021-12-29 07:00:28 +01:00
1e965c42b7
don't rely on ML
...
avoid dependencies to external packages as much as possible
2021-12-27 17:44:22 +01:00
1ddf1e5694
support for PETSc with 64bit integers
...
compiles, but untested
2021-12-21 23:53:46 +01:00
e10dea5b6c
easier to understand
2021-12-19 22:53:48 +01:00
00230d482f
use data from other physics directly
...
more clear code, simplified interfaces
2021-12-19 22:07:23 +01:00
5af6cc288b
whitespace adjustments
2021-12-19 21:46:10 +01:00
f833d348e0
testing random sampling
2021-12-17 08:01:15 +01:00
f40d731fe1
use the Box-Muller transform instead of random sampling
...
still needs testing.
2021-12-16 21:22:44 +01:00
6ba2a08e5a
easier to read
2021-12-11 11:50:40 +01:00
d6ba73d9e2
consistent names
2021-12-11 09:54:46 +01:00
f51633d43a
forall is deprecated
...
do concurrent is the successor but ifort had problems and generated
faulty code
2021-12-11 09:01:42 +01:00
7d7d0c2659
only local variable are good variables
2021-12-11 08:49:30 +01:00
a23a714bd0
polishing
2021-12-07 19:10:24 +01:00
d66b9e1896
subdivision of interaction matrix for hcp
2021-12-06 16:51:18 +01:00
a4cd663fc0
Merge branch 'no-2prism-hex' into development
2021-12-06 16:45:01 +01:00
fe2123bae4
2. order prismatic systems are not needed
...
not clear for which material they have been introduced, according to
T.R. Bieler and P. Eisenlohr they are typicall not active in any
material of interest
2021-12-06 12:23:24 +01:00
8ade749f05
avoid conversions
2021-12-06 08:55:00 +01:00
2fb368cf8c
consistent space (as in 'end module' etc)
2021-12-06 07:59:40 +01:00
08a709c6d9
capitalize HDF5 prefix
2021-12-06 07:55:22 +01:00
2f067b544e
use variables, not descriptors
2021-12-06 07:55:13 +01:00
c818756f68
wrong check
...
iand is used for checking, see https://support.hdfgroup.org/HDF5/doc/RM/H5Z/H5Zget_filter_info.htm
2021-12-02 20:51:33 +01:00
731e20261c
bugfix for HDF5 without deflate filter
...
before inquiring whether a filter supports compression/decompression, we
first need to check whether it is available at all to avoid raising an
error.
Extended the check to the shuffle filter
2021-12-02 13:00:59 +01:00
5abfe3c214
Merge remote-tracking branch 'origin/development' into MSC-Version
2021-12-01 15:35:49 +01:00
7e7098baf7
Merge branch 'rotate-Voigt' into 'development'
...
Rotate voigt
See merge request damask/DAMASK!463
2021-11-29 16:47:39 +00:00
96e4cb591c
Merge branch 'integer-exponents' into 'development'
...
Using integer exponent
See merge request damask/DAMASK!467
2021-11-29 07:32:04 +00:00
a531b7ccae
transitioned remaining real exponents to int
2021-11-28 12:46:26 -05:00
81daebd0e6
Merge remote-tracking branch 'origin/development' into integer-exponents
2021-11-27 20:44:26 +01:00
1fbeabc949
Merge remote-tracking branch 'origin/development' into rotate-Voigt
2021-11-27 19:55:02 +01:00
ccd6e44b6b
Merge remote-tracking branch 'origin/development' into 134-output_none
2021-11-27 19:17:27 +01:00
2fbe34497e
integer exponents
2021-11-26 14:13:04 -05:00
825eb3824b
polishing
2021-11-26 20:10:21 +01:00
6cad6bc5cf
clarify slip plane for (first) pyr<a>
2021-11-26 13:01:40 +01:00
b88ab1af48
simplify search for interaction parameters
2021-11-26 13:01:40 +01:00
bfc6b69ee2
integer exponents: faster and shorter
2021-11-25 20:52:22 +01:00
f435062a1d
support for Marc2021.3.1
2021-11-25 17:30:22 +01:00
72c717d51d
simplified/correct type
2021-11-25 15:37:13 +01:00
271bb8df88
being consistent
2021-11-25 15:03:00 +01:00
90f967cc86
Merge remote-tracking branch 'origin/T_ref300' into dynamic-C
2021-11-25 12:11:38 +01:00
fb8c515a98
capitalize constants
...
not sure whether we should make exceptions for k_B and T_room
2021-11-25 11:52:52 +01:00
8b06d97e84
Merge remote-tracking branch 'origin/T_ref300' into dynamic-C
2021-11-25 11:18:25 +01:00
e941867290
single source of truth
2021-11-25 06:23:26 +01:00
bc30248b95
0K is not a good reference
2021-11-25 06:12:55 +01:00
35f20811cb
thermal dependent C
2021-11-24 23:21:31 +01:00
da23c916ca
polish
2021-11-21 15:49:04 -05:00
28ff027b38
exploit symmetry for stress calculation
2021-11-20 22:36:01 +01:00
a857285e34
backward transformation for Voigt
2021-11-20 22:09:01 +01:00
f6440f7f17
need to check 'any', adjusted tolerance
2021-11-20 15:18:48 +01:00
87100d1dce
avoid conversion Voigt-6x6 to 3x3x3x3
2021-11-20 15:15:59 +01:00
a6c311f410
commented
2021-11-20 12:16:32 +01:00
021d614daf
using Voigt notation
...
This is a bugfix with a change of behavior
2021-11-19 20:44:30 +01:00
ff9fa1d4f7
using Voigt notation instead of proprietary scaled 6x6 notation
...
Note: This results in a change of behavior for the transformation
systems of dislotwin. I assume that this fixes a bug, but still need to
confirm where the equations in lattice_C66_trans come from
2021-11-19 07:33:59 +01:00
fa8218124a
avoid conversions
2021-11-18 22:02:19 +01:00
038dd1fc40
correct names
...
whether C66 is homogenized or not is a decision of the caller
2021-11-18 21:31:08 +01:00
dfe6d0a195
more support for Voigt notation
2021-11-18 21:06:38 +01:00
020ef64d7d
explicit conversions
2021-11-18 19:37:48 +01:00
8a8fdfc93c
use Voigt notation
...
there is no advantage of using the symmetrized conversions
2021-11-18 17:33:08 +01:00
4d29393ced
simplified
2021-11-18 16:59:23 +01:00
f7a42bdc1a
avoid conversion to 3333
2021-11-18 16:56:36 +01:00
8d64a1c2f2
mark compressed notation
2021-11-18 16:37:34 +01:00
72c07cfc17
'present' propagates
2021-11-18 16:33:21 +01:00
29771feaae
cleaning
2021-11-18 14:43:05 +01:00
eee455c0d3
polishing
2021-11-18 13:12:14 +01:00
0badba032b
Merge remote-tracking branch 'origin/development' into dynamic-C
2021-11-18 10:29:33 +01:00
55d6b1dd1a
preparing for temperature dependent C by calling it dynamically
2021-11-17 21:35:39 +01:00
262ff03b9f
more consistent formatting of loops
2021-11-17 09:11:30 +01:00
4ebf14317a
Merge branch 'development' into pretty-print-init
2021-11-16 12:56:38 -05:00
58410709b9
Merge branch '136-skip-plasticity-calculations-for-purely-elastic' into 'development'
...
reduce computation effort for plasticity==none
Closes #136
See merge request damask/DAMASK!452
2021-11-16 16:28:25 +00:00
43ae4983ed
fixed misaligned/too short "writing..." statements
2021-11-15 12:58:59 -05:00
69843d0833
Merge branch 'development' into pretty-print-init
2021-11-15 12:39:14 -05:00
da9fdf53d2
consistent indentation and line-spacings in reporting
2021-11-15 12:35:44 -05:00
64d70d9be3
user option to have no output
...
f_out = none
2021-11-15 14:39:29 +01:00
f7dbda31e8
style adjustments
...
- two empty lines after variables
- enddo, endif should have space
2021-11-14 06:46:01 +01:00
2408b74cac
reduce computation effort for plasticity==none
2021-11-14 06:45:37 +01:00
aa6efd21cd
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-11-12 08:46:50 +01:00
8138d3a180
style adjustments
2021-11-11 23:59:48 +01:00
ba31ff7263
do not rely on ML per default
2021-11-11 23:23:14 +01:00
b7ad5b3167
'standard' style
2021-11-10 20:53:20 +01:00
186b688b04
only look for opening part of <CellData> tag
2021-11-09 15:10:19 -05:00
0514ca7a56
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-11-08 18:49:41 +01:00
a041551b9f
Merge remote-tracking branch 'origin/development' into mesh-order
2021-11-03 07:57:59 +01:00
f4f0163d5e
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-11-02 13:22:47 +01:00
e0b6a28b48
better matching name
2021-10-31 22:13:36 +01:00
737eff9179
bugfix: change of behavior
...
v_0 was erroneously introduced
use tau = (tau_pos+tau_neg)/2
2021-10-31 18:59:51 +01:00
6d117882c5
use precalculated value
2021-10-31 17:29:35 +01:00
fbc4865c30
mathematically equivalent re-formulation
...
allows to disable contribution from grain size by setting it to a large
value
2021-10-31 15:42:18 +01:00
f5fe0b9dca
bugfix: change of behavior
...
negative values for the resolved stress do not make sense.
The paper does not take this into account (eq (14), Cereceda et. al
2016). According to my understanding, only the non-thermal contributions should be
substracted, so abs(tau_pos)/abs(tau_neg) would not be sufficient.
2021-10-31 09:53:58 +01:00
e20b705f54
following dislotwin
2021-10-30 23:02:51 +02:00
bff186051c
simplified
2021-10-30 22:54:02 +02:00
bb757cf82e
style adjustments
2021-10-30 13:15:03 +02:00
f0a33b452f
unifying style
2021-10-28 07:05:14 +02:00
b4ff89f304
improved test
2021-10-27 22:54:26 +02:00
a00c6743c3
symbolic notation in numerics.yaml
...
- p_i: integration order
- p_s: shape function order
ensure working combination (p_s = p_i: full integration, p_s = p_i+1:
reduced integration)
2021-10-26 11:51:08 +02:00
fc42665838
Merge branch 'modern-complex-components' into 'development'
...
better readable
See merge request damask/DAMASK!444
2021-10-22 10:48:40 +00:00
256c48831e
better readable
2021-10-19 23:08:21 +02:00
2e340d3489
forgotten rename
2021-10-15 22:19:58 +02:00
519bb857d7
save list of files used for compilation
...
helpful for debugging and creating automated documentation
2021-10-15 22:15:08 +02:00
c628c028dc
SYNTAXONLY for mesh, avoid code duplication
2021-10-15 22:14:37 +02:00
dd7549a381
seems to work without further changes
2021-10-06 07:50:42 +02:00
29431eb8c5
same reporting as in python
2021-09-12 21:55:14 +02:00
949eea1624
bugfix: did not work with VTK 8
2021-09-01 11:07:39 +02:00
566e0445fc
old url is not working anymore
2021-08-25 08:18:46 +02:00
129ff28692
Merge remote-tracking branch 'origin/master' into misc-improvements
2021-08-24 16:04:32 +02:00
9061297e6e
typo
2021-08-19 19:57:52 +02:00
caf9a29b73
useful information, especially in logs from bug reports
2021-08-19 07:10:00 +02:00
411f35272a
offset should have been taken into account (like earlier)
...
new changes should not break old functionality
2021-08-19 06:10:44 +02:00
49ccbf3eb8
still not perfect:
...
https://stackoverflow.com/questions/32411963
2021-08-18 22:20:30 +02:00
93d23fa6bb
Merge remote-tracking branch 'origin/development' into YAML-bug-fix
2021-08-17 18:57:14 +02:00
a1fd45bded
offset should have been taken into account (like earlier)
...
new changes should not break old functionality
2021-08-17 17:46:22 +02:00
4160c4fdb4
fix for parallel HDF5
...
if filters are applied, writing from one process does not work if the
file is opened for parallel write
2021-08-15 13:26:15 +02:00
497bf2c645
avoid errors for empty datasets
...
empty dataset cannot be chunked, but filters can only be applied to
chunked datasets
2021-08-14 20:44:59 +02:00
1963343cd8
avoid issues with empty files
...
optional files (numerics.yaml, debug.yaml) can be empty
2021-08-14 20:01:25 +02:00
30d9f57db0
also compress string datasets
...
results in different type (numpy string instead of numpy object), tests need to be adjusted
2021-08-14 16:28:51 +02:00
595cc4e59e
always chunk data
...
for small datasets:
- only one chunk
- no compression
2021-08-14 15:48:07 +02:00
01d5458611
correct line continuation
2021-08-11 14:32:21 +02:00
c2e86a2b2a
lessons learned from compilation with Intel 2021.3
2021-08-10 23:47:13 +02:00
b29b0ecd71
Merge branch 'development' into report-systems
2021-08-10 09:16:13 +02:00
f75235f6a9
Merge branch 'more-flexible-L' into 'development'
...
more flexibility for the L in the load case
See merge request damask/DAMASK!420
2021-08-09 21:27:13 +00:00
cf66b81e3a
avoid code duplication
2021-08-07 22:02:44 +02:00
5b4b1c1933
enforce correct shape
2021-08-05 20:32:58 +02:00
00a053c4c8
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-08-05 16:25:27 +02:00
2635bb012c
Merge remote-tracking branch 'origin/development' into YAML-improvements
2021-08-05 14:49:33 +02:00
68eb930bf0
Merge remote-tracking branch 'origin/development' into report-systems
2021-08-03 21:57:50 +02:00
4a8c836117
Merge branch 'store-sim-setup' into 'development'
...
store information on slip and twin systems
See merge request damask/DAMASK!422
2021-08-03 13:16:59 +00:00
100215edb6
Merge remote-tracking branch 'origin/development' into YAML-improvements
2021-08-02 16:57:07 +02:00
c5a80bc75d
more readable
2021-08-02 16:50:21 +02:00
e8312a49ed
polishing
2021-08-02 10:38:59 +02:00
044a048944
taking care of corner cases (e.g. restart)
...
adjusting tests to take care of new 'setup' group
2021-08-01 22:46:11 +02:00
e97757bd25
Merge remote-tracking branch 'origin/development' into report-systems
2021-07-30 15:49:42 +02:00
e89a03d456
Suggestion by @Franz
2021-07-28 18:04:52 +02:00
578ee2b214
Merge remote-tracking branch 'origin/development' into YAML-improvements
2021-07-28 12:15:09 +02:00
3d7f15c940
meaningful error message incase of mismatch in quotes
2021-07-28 12:14:00 +02:00
5d0c0f4283
outdated instructions
2021-07-27 16:44:52 +02:00
af714cfd5b
broken Intel compiler (do concurrent)
...
errors occur under unclear conditions, better avoid at the moment:
https://community.intel.com/t5/Intel-Fortran-Compiler/do-concurrent-broken-with-openmp/m-p/1301528#M156942
https://community.intel.com/t5/Intel-Fortran-Compiler/Bug-with-do-concurrent-and-openmp/m-p/1173473m
2021-07-27 16:44:13 +02:00
07fb7f8fdf
save information on slip systems for reproducibility
2021-07-27 15:39:21 +02:00
a6f7e4f1a6
play it safe
2021-07-27 10:18:55 +02:00
64d52dbbf4
store input deck, MSC.Marc now 100% reproducible
2021-07-27 09:46:51 +02:00
26ae352a4c
make setup data easily accessible to the user
2021-07-27 09:38:47 +02:00
b9d4eb23cc
only rank 0 reads file for MPI
2021-07-27 08:54:17 +02:00
812b0f07f5
read file only once (per process)
2021-07-27 08:35:52 +02:00
367c088b16
sorting according to dependency (no Makefile)
2021-07-27 08:00:24 +02:00
ddb0429a1d
store load case (full reproducibility for grid solver)
2021-07-27 07:57:04 +02:00
e01d271ee4
store geometry (for full reproducibility)
2021-07-27 07:43:35 +02:00
3b06498c2f
make results self-contained for reproducibility
...
ToDo: same functionality for load and geom
2021-07-27 07:40:55 +02:00
Martin Diehl