Martin Diehl
68ea33c591
start at 1 for the same loop pattern
2022-01-26 12:21:08 +01:00
Martin Diehl
a86dc322fb
consistently put the check on the next line
2022-01-26 12:18:26 +01:00
Martin Diehl
f1051ec28f
polishing
2022-01-21 23:34:42 +00:00
Martin Diehl
96fed368ad
name adjustments
2022-01-21 14:51:46 +01:00
Martin Diehl
bc1b391449
Merge remote-tracking branch 'origin/development' into 146_grid-indexing+allocation
2022-01-21 07:23:24 +01:00
Sharan Roongta
c2a822d8fd
keys() function for dictionary as in Python.
...
Does not work for gfortran which fails with an ICE.
2022-01-20 23:45:47 +00:00
Martin Diehl
292cbdee30
consistent name
2022-01-20 14:56:21 +01:00
Martin Diehl
7bd8452bf8
set return value
2022-01-20 07:56:45 +01:00
Martin Diehl
7b1080fdb7
better and consistent variable name
2022-01-20 07:42:16 +01:00
Martin Diehl
1f86111f57
call SNESSetDM after DMDASNESSetFunctionLocal
...
following example ex5f.F90, seems to resolve segmentation fault
2022-01-19 22:57:22 +01:00
Martin Diehl
fe094939e6
better to understand
2022-01-19 19:43:54 +01:00
Martin Diehl
0f4f2b6717
use only grid, not (x/y/z) start and end
2022-01-19 19:38:07 +01:00
Martin Diehl
89cb018189
polishing
2022-01-19 18:58:46 +01:00
Martin Diehl
3d6dcad385
Merge remote-tracking branch 'origin/thermal-solver-improvements' into 146_grid-indexing+allocation
2022-01-19 18:50:55 +01:00
Martin Diehl
25ddec76e7
avoid (x/y/z)end and (x/y/z)start, same information is in grid
2022-01-19 17:41:16 +01:00
Martin Diehl
96ff3314a3
simplified
2022-01-19 17:10:47 +01:00
Martin Diehl
642df40634
one-based counting
2022-01-19 16:56:54 +01:00
Sharan Roongta
1ad537b60c
better to use global grid dimensions
...
also checking early allocation of Temperature field
2022-01-19 16:54:10 +01:00
Martin Diehl
b18483cc6e
simplify MPI debugging
...
needs manual modification in the source code
2022-01-19 16:45:14 +01:00
Martin Diehl
869fdc847a
Merge branch 'development' into misc-improvements
2022-01-18 11:02:18 +01:00
Martin Diehl
c5fd6a3677
random seed should contain some entropy
...
setting all elements to the same value does not make sense. Moreover,
negative values are allowed
2022-01-18 10:47:26 +01:00
Philip Eisenlohr
8b5122f52a
Merge branch 'physics-based-hex-interactions' into 'development'
...
Physics based hex interactions
See merge request damask/DAMASK!495
2022-01-17 15:24:05 +00:00
Sharan Roongta
40ee4d3dd1
Merge branch 'petsc-64bit-integer' into 'development'
...
support for PETSc with 64bit integers
See merge request damask/DAMASK!496
2022-01-17 09:16:39 +00:00
Franz Roters
1d2bbc8cd9
Merge branch 'dislotwin-fix-tangent' into 'development'
...
corrected tangent calculation for twinning and transformation
See merge request damask/DAMASK!492
2022-01-17 07:57:51 +00:00
Martin Diehl
a37178ddee
handle case of -0.0
...
-0.0 < 0.0 ! false
so need sign to change direction for also for the corner case of -0.0
2022-01-15 12:28:39 +01:00
Martin Diehl
d1cd125a5b
direct array reversal, don't duplicate FFTW manual
2022-01-15 12:27:07 +01:00
Philip Eisenlohr
2c054f2b38
use same hex-hex interaction documentation as webpage
2022-01-13 11:23:09 -05:00
Philip Eisenlohr
45e33782e4
documentating more hex interactions
2022-01-13 10:42:05 -05:00
Martin Diehl
82dabe29c1
mesh: separate kind for DAMASK and PETSc integers
2022-01-13 16:30:42 +01:00
Philip Eisenlohr
4562f4262c
add documentation to source code
2022-01-13 10:14:36 -05:00
Martin Diehl
29530da579
use correct kind of constants for calls to MPI/PETSc
2022-01-13 13:50:30 +01:00
Martin Diehl
91a3ea96ec
final MPI-DAMASK integer kind decoupling
...
bugfix: set error for openMP-calucations
2022-01-13 13:21:44 +01:00
Martin Diehl
d7dbb6ffc2
needs to be public for Marc
2022-01-13 12:03:22 +01:00
Martin Diehl
a7417a7ad7
default integer, PETSc integer, and MPI integer might be different
2022-01-13 12:02:33 +01:00
Martin Diehl
a3a3388855
decouple DAMASK default integer from MPI default integer
2022-01-13 10:25:45 +01:00
Martin Diehl
1c46e7ea1a
not needed
2022-01-13 08:30:46 +01:00
Martin Diehl
8223dc7fa7
polishing
...
MPI, HDF5, PETSc, and DAMASK might have different integer kinds ..
2022-01-13 08:17:31 +01:00
Martin Diehl
3fb5bd459c
pInt leftovers
2022-01-13 07:44:15 +01:00
Martin Diehl
4727652856
default integer is set via a compiler flag
2022-01-13 07:37:38 +01:00
Sharan Roongta
236f0297ac
test added
2022-01-12 20:42:37 +01:00
Martin Diehl
fd3c18ea4d
calculate global entry in 64 bit
2022-01-12 17:58:44 +01:00
Martin Diehl
ae0eead748
write out mapping as 64 bit integer
2022-01-12 17:44:07 +01:00
Martin Diehl
18913bb94e
autodetect datatype
2022-01-12 17:33:14 +01:00
Martin Diehl
a87db2ba0b
test for long long integer
2022-01-12 16:56:24 +01:00
Martin Diehl
4bfc814a53
Merge remote-tracking branch 'origin/development' into petsc-64bit-integer
2022-01-12 16:37:22 +01:00
Franz Roters
76fe2d2b36
Merge branch 'misc-improvements' into 'development'
...
polishing
See merge request damask/DAMASK!497
2022-01-11 15:45:09 +00:00
Sharan Roongta
e80d91e30a
thermal restart (WIP)
2022-01-11 16:11:18 +01:00
Martin Diehl
16fbd1757c
integer exponents are potentially faster
2022-01-10 20:50:46 +01:00
Martin Diehl
eea8aa94af
not used
2022-01-10 18:50:28 +01:00
Martin Diehl
1026d56842
credit where credit is due
...
referencing DOI gives faster access to actual data
2022-01-09 08:05:42 +01:00
Martin Diehl
a884b99aa9
Merge remote-tracking branch 'origin/development' into physics-based-hex-interactions
2022-01-08 20:45:46 +01:00
Martin Diehl
dd6e9a016e
just off by 46 orders of magnitude ;)
2022-01-08 12:07:29 +00:00
Philip Eisenlohr
b12a180974
added literature reference for constitutive law
2022-01-06 09:54:33 -05:00
Martin Diehl
1140625b12
copy and paste error
2022-01-04 17:29:45 +01:00
Martin Diehl
03e3fbd98f
compute only when needed
2022-01-04 07:44:14 +01:00
Martin Diehl
4a7f23069c
avoid misleading variable name
2022-01-04 07:32:56 +01:00
Martin Diehl
79fa888c99
Merge remote-tracking branch 'origin/development' into dislotwin-fix-tangent
2022-01-04 07:05:40 +01:00
Sharan Roongta
b8203e94d8
Merge branch 'pure-LAPACK' into 'development'
...
improved function attributes
See merge request damask/DAMASK!491
2022-01-03 14:07:54 +00:00
Martin Diehl
510a26ded9
is used in dislotwin according to original paper
2022-01-03 10:36:23 +01:00
Martin Diehl
03c6708629
polishing
2022-01-01 19:52:32 +01:00
Martin Diehl
d181b988c1
using vector access
2022-01-01 19:52:20 +01:00
Martin Diehl
770cf33667
correct calculation of tangent.
...
thanks to Seyedamirhossein Motaman (RWTH Aachen) for reporting
2022-01-01 19:51:31 +01:00
Martin Diehl
b34655b7fc
functions without side-effects are 'pure'
...
basically all 'getter' functions should be pure
2022-01-01 11:39:14 +01:00
Martin Diehl
2f74e0d070
avoid failing self test
...
increase number of samples to have less corner cases.
Needs to be allocatable to avoid stack/heap issue on ifort
2022-01-01 11:39:02 +01:00
Martin Diehl
e678b231d9
following naming convention
2021-12-31 13:32:18 +01:00
Martin Diehl
017c182640
branch only once
2021-12-31 13:30:53 +01:00
Martin Diehl
0116e2dae6
bugfix: write only to active twin/trans system
2021-12-31 10:44:12 +01:00
Martin Diehl
f2b6ddece1
reduce memory footprint
2021-12-31 08:12:30 +01:00
Martin Diehl
d130225c9f
polishing
2021-12-31 08:12:17 +01:00
Martin Diehl
da00f33487
transformation is only for fcc
2021-12-31 08:11:12 +01:00
Martin Diehl
1661b815b2
correct calculation of temperature dependent stacking fault energy
2021-12-31 08:11:01 +01:00
Martin Diehl
de9183af4e
functions without side-effects are 'pure'
...
basically all 'getter' functions should be pure
2021-12-31 08:10:49 +01:00
Martin Diehl
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
Martin Diehl
fb51e3c4cd
functions have no side-effects, hence 'pure'
2021-12-29 07:19:26 +01:00
Martin Diehl
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
Martin Diehl
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
Martin Diehl
1e965c42b7
don't rely on ML
...
avoid dependencies to external packages as much as possible
2021-12-27 17:44:22 +01:00
Martin Diehl
1ddf1e5694
support for PETSc with 64bit integers
...
compiles, but untested
2021-12-21 23:53:46 +01:00
Martin Diehl
e10dea5b6c
easier to understand
2021-12-19 22:53:48 +01:00
Martin Diehl
00230d482f
use data from other physics directly
...
more clear code, simplified interfaces
2021-12-19 22:07:23 +01:00
Martin Diehl
5af6cc288b
whitespace adjustments
2021-12-19 21:46:10 +01:00
Martin Diehl
f833d348e0
testing random sampling
2021-12-17 08:01:15 +01:00
Martin Diehl
f40d731fe1
use the Box-Muller transform instead of random sampling
...
still needs testing.
2021-12-16 21:22:44 +01:00
Martin Diehl
6ba2a08e5a
easier to read
2021-12-11 11:50:40 +01:00
Martin Diehl
d6ba73d9e2
consistent names
2021-12-11 09:54:46 +01:00
Martin Diehl
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
Martin Diehl
7d7d0c2659
only local variable are good variables
2021-12-11 08:49:30 +01:00
Martin Diehl
a23a714bd0
polishing
2021-12-07 19:10:24 +01:00
Sheng Zhang
d66b9e1896
subdivision of interaction matrix for hcp
2021-12-06 16:51:18 +01:00
Sheng Zhang
a4cd663fc0
Merge branch 'no-2prism-hex' into development
2021-12-06 16:45:01 +01:00
Martin Diehl
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
Martin Diehl
8ade749f05
avoid conversions
2021-12-06 08:55:00 +01:00
Martin Diehl
2fb368cf8c
consistent space (as in 'end module' etc)
2021-12-06 07:59:40 +01:00
Martin Diehl
08a709c6d9
capitalize HDF5 prefix
2021-12-06 07:55:22 +01:00
Martin Diehl
2f067b544e
use variables, not descriptors
2021-12-06 07:55:13 +01:00
Martin Diehl
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
Martin Diehl
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
Martin Diehl
5abfe3c214
Merge remote-tracking branch 'origin/development' into MSC-Version
2021-12-01 15:35:49 +01:00
Sharan Roongta
7e7098baf7
Merge branch 'rotate-Voigt' into 'development'
...
Rotate voigt
See merge request damask/DAMASK!463
2021-11-29 16:47:39 +00:00
Nikhil Prabhu
96e4cb591c
Merge branch 'integer-exponents' into 'development'
...
Using integer exponent
See merge request damask/DAMASK!467
2021-11-29 07:32:04 +00:00
Philip Eisenlohr
a531b7ccae
transitioned remaining real exponents to int
2021-11-28 12:46:26 -05:00
Martin Diehl
81daebd0e6
Merge remote-tracking branch 'origin/development' into integer-exponents
2021-11-27 20:44:26 +01:00
Martin Diehl
1fbeabc949
Merge remote-tracking branch 'origin/development' into rotate-Voigt
2021-11-27 19:55:02 +01:00
Martin Diehl
ccd6e44b6b
Merge remote-tracking branch 'origin/development' into 134-output_none
2021-11-27 19:17:27 +01:00
Philip Eisenlohr
2fbe34497e
integer exponents
2021-11-26 14:13:04 -05:00
Martin Diehl
825eb3824b
polishing
2021-11-26 20:10:21 +01:00
Philip Eisenlohr
6cad6bc5cf
clarify slip plane for (first) pyr<a>
2021-11-26 13:01:40 +01:00
Martin Diehl
b88ab1af48
simplify search for interaction parameters
2021-11-26 13:01:40 +01:00
Martin Diehl
bfc6b69ee2
integer exponents: faster and shorter
2021-11-25 20:52:22 +01:00
Franz Roters
f435062a1d
support for Marc2021.3.1
2021-11-25 17:30:22 +01:00
Martin Diehl
72c717d51d
simplified/correct type
2021-11-25 15:37:13 +01:00
Sharan Roongta
271bb8df88
being consistent
2021-11-25 15:03:00 +01:00
Sharan Roongta
90f967cc86
Merge remote-tracking branch 'origin/T_ref300' into dynamic-C
2021-11-25 12:11:38 +01:00
Martin Diehl
fb8c515a98
capitalize constants
...
not sure whether we should make exceptions for k_B and T_room
2021-11-25 11:52:52 +01:00
Sharan Roongta
8b06d97e84
Merge remote-tracking branch 'origin/T_ref300' into dynamic-C
2021-11-25 11:18:25 +01:00
Martin Diehl
e941867290
single source of truth
2021-11-25 06:23:26 +01:00
Martin Diehl
bc30248b95
0K is not a good reference
2021-11-25 06:12:55 +01:00
Sharan Roongta
35f20811cb
thermal dependent C
2021-11-24 23:21:31 +01:00
Philip Eisenlohr
da23c916ca
polish
2021-11-21 15:49:04 -05:00
Martin Diehl
28ff027b38
exploit symmetry for stress calculation
2021-11-20 22:36:01 +01:00
Martin Diehl
a857285e34
backward transformation for Voigt
2021-11-20 22:09:01 +01:00
Martin Diehl
f6440f7f17
need to check 'any', adjusted tolerance
2021-11-20 15:18:48 +01:00
Martin Diehl
87100d1dce
avoid conversion Voigt-6x6 to 3x3x3x3
2021-11-20 15:15:59 +01:00
Martin Diehl
a6c311f410
commented
2021-11-20 12:16:32 +01:00
Martin Diehl
021d614daf
using Voigt notation
...
This is a bugfix with a change of behavior
2021-11-19 20:44:30 +01:00
Martin Diehl
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
Martin Diehl
fa8218124a
avoid conversions
2021-11-18 22:02:19 +01:00
Martin Diehl
038dd1fc40
correct names
...
whether C66 is homogenized or not is a decision of the caller
2021-11-18 21:31:08 +01:00
Martin Diehl
dfe6d0a195
more support for Voigt notation
2021-11-18 21:06:38 +01:00
Martin Diehl
020ef64d7d
explicit conversions
2021-11-18 19:37:48 +01:00
Martin Diehl
8a8fdfc93c
use Voigt notation
...
there is no advantage of using the symmetrized conversions
2021-11-18 17:33:08 +01:00
Martin Diehl
4d29393ced
simplified
2021-11-18 16:59:23 +01:00
Martin Diehl
f7a42bdc1a
avoid conversion to 3333
2021-11-18 16:56:36 +01:00
Martin Diehl
8d64a1c2f2
mark compressed notation
2021-11-18 16:37:34 +01:00
Martin Diehl
72c07cfc17
'present' propagates
2021-11-18 16:33:21 +01:00
Martin Diehl
29771feaae
cleaning
2021-11-18 14:43:05 +01:00
Martin Diehl
eee455c0d3
polishing
2021-11-18 13:12:14 +01:00
Sharan Roongta
0badba032b
Merge remote-tracking branch 'origin/development' into dynamic-C
2021-11-18 10:29:33 +01:00
Sharan Roongta
55d6b1dd1a
preparing for temperature dependent C by calling it dynamically
2021-11-17 21:35:39 +01:00
Franz Roters
262ff03b9f
more consistent formatting of loops
2021-11-17 09:11:30 +01:00
Philip Eisenlohr
4ebf14317a
Merge branch 'development' into pretty-print-init
2021-11-16 12:56:38 -05:00
Franz Roters
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
Philip Eisenlohr
43ae4983ed
fixed misaligned/too short "writing..." statements
2021-11-15 12:58:59 -05:00
Philip Eisenlohr
69843d0833
Merge branch 'development' into pretty-print-init
2021-11-15 12:39:14 -05:00
Philip Eisenlohr
da9fdf53d2
consistent indentation and line-spacings in reporting
2021-11-15 12:35:44 -05:00
Nikhil Prabhu
64d70d9be3
user option to have no output
...
f_out = none
2021-11-15 14:39:29 +01:00
Martin Diehl
f7dbda31e8
style adjustments
...
- two empty lines after variables
- enddo, endif should have space
2021-11-14 06:46:01 +01:00
Philip Eisenlohr
2408b74cac
reduce computation effort for plasticity==none
2021-11-14 06:45:37 +01:00
Martin Diehl
aa6efd21cd
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-11-12 08:46:50 +01:00
Martin Diehl
8138d3a180
style adjustments
2021-11-11 23:59:48 +01:00
Martin Diehl
ba31ff7263
do not rely on ML per default
2021-11-11 23:23:14 +01:00
Martin Diehl
b7ad5b3167
'standard' style
2021-11-10 20:53:20 +01:00
Philip Eisenlohr
186b688b04
only look for opening part of <CellData> tag
2021-11-09 15:10:19 -05:00
Martin Diehl
0514ca7a56
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-11-08 18:49:41 +01:00
Martin Diehl
a041551b9f
Merge remote-tracking branch 'origin/development' into mesh-order
2021-11-03 07:57:59 +01:00
Martin Diehl
f4f0163d5e
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-11-02 13:22:47 +01:00
Martin Diehl
e0b6a28b48
better matching name
2021-10-31 22:13:36 +01:00
Martin Diehl
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
Martin Diehl
6d117882c5
use precalculated value
2021-10-31 17:29:35 +01:00
Martin Diehl
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
Martin Diehl
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
Martin Diehl
e20b705f54
following dislotwin
2021-10-30 23:02:51 +02:00
Martin Diehl
bff186051c
simplified
2021-10-30 22:54:02 +02:00
Martin Diehl
bb757cf82e
style adjustments
2021-10-30 13:15:03 +02:00
Martin Diehl
f0a33b452f
unifying style
2021-10-28 07:05:14 +02:00
Martin Diehl
b4ff89f304
improved test
2021-10-27 22:54:26 +02:00
Martin Diehl
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
Daniel Otto de Mentock
fc42665838
Merge branch 'modern-complex-components' into 'development'
...
better readable
See merge request damask/DAMASK!444
2021-10-22 10:48:40 +00:00
Martin Diehl
256c48831e
better readable
2021-10-19 23:08:21 +02:00
Martin Diehl
2e340d3489
forgotten rename
2021-10-15 22:19:58 +02:00
Martin Diehl
519bb857d7
save list of files used for compilation
...
helpful for debugging and creating automated documentation
2021-10-15 22:15:08 +02:00
Martin Diehl
c628c028dc
SYNTAXONLY for mesh, avoid code duplication
2021-10-15 22:14:37 +02:00
Martin Diehl
dd7549a381
seems to work without further changes
2021-10-06 07:50:42 +02:00
Martin Diehl
29431eb8c5
same reporting as in python
2021-09-12 21:55:14 +02:00
Martin Diehl
949eea1624
bugfix: did not work with VTK 8
2021-09-01 11:07:39 +02:00
Martin Diehl
566e0445fc
old url is not working anymore
2021-08-25 08:18:46 +02:00
Martin Diehl
129ff28692
Merge remote-tracking branch 'origin/master' into misc-improvements
2021-08-24 16:04:32 +02:00
Sharan Roongta
9061297e6e
typo
2021-08-19 19:57:52 +02:00
Martin Diehl
caf9a29b73
useful information, especially in logs from bug reports
2021-08-19 07:10:00 +02:00
Sharan Roongta
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
Martin Diehl
49ccbf3eb8
still not perfect:
...
https://stackoverflow.com/questions/32411963
2021-08-18 22:20:30 +02:00
Sharan Roongta
93d23fa6bb
Merge remote-tracking branch 'origin/development' into YAML-bug-fix
2021-08-17 18:57:14 +02:00
Sharan Roongta
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
Martin Diehl
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
Martin Diehl
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
Martin Diehl
1963343cd8
avoid issues with empty files
...
optional files (numerics.yaml, debug.yaml) can be empty
2021-08-14 20:01:25 +02:00
Martin Diehl
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
Martin Diehl
595cc4e59e
always chunk data
...
for small datasets:
- only one chunk
- no compression
2021-08-14 15:48:07 +02:00
Martin Diehl
01d5458611
correct line continuation
2021-08-11 14:32:21 +02:00
Martin Diehl
c2e86a2b2a
lessons learned from compilation with Intel 2021.3
2021-08-10 23:47:13 +02:00
Vitesh Shah
b29b0ecd71
Merge branch 'development' into report-systems
2021-08-10 09:16:13 +02:00
Philip Eisenlohr
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
Martin Diehl
cf66b81e3a
avoid code duplication
2021-08-07 22:02:44 +02:00
Martin Diehl
5b4b1c1933
enforce correct shape
2021-08-05 20:32:58 +02:00
Martin Diehl
00a053c4c8
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-08-05 16:25:27 +02:00
Sharan Roongta
2635bb012c
Merge remote-tracking branch 'origin/development' into YAML-improvements
2021-08-05 14:49:33 +02:00
Martin Diehl
68eb930bf0
Merge remote-tracking branch 'origin/development' into report-systems
2021-08-03 21:57:50 +02:00
Vitesh
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
Sharan Roongta
100215edb6
Merge remote-tracking branch 'origin/development' into YAML-improvements
2021-08-02 16:57:07 +02:00
Sharan Roongta
c5a80bc75d
more readable
2021-08-02 16:50:21 +02:00
Martin Diehl
e8312a49ed
polishing
2021-08-02 10:38:59 +02:00
Martin Diehl
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
Martin Diehl
e97757bd25
Merge remote-tracking branch 'origin/development' into report-systems
2021-07-30 15:49:42 +02:00
Sharan Roongta
e89a03d456
Suggestion by @Franz
2021-07-28 18:04:52 +02:00
Sharan Roongta
578ee2b214
Merge remote-tracking branch 'origin/development' into YAML-improvements
2021-07-28 12:15:09 +02:00
Sharan Roongta
3d7f15c940
meaningful error message incase of mismatch in quotes
2021-07-28 12:14:00 +02:00
Martin Diehl
5d0c0f4283
outdated instructions
2021-07-27 16:44:52 +02:00
Martin Diehl
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
Martin Diehl
07fb7f8fdf
save information on slip systems for reproducibility
2021-07-27 15:39:21 +02:00
Martin Diehl
a6f7e4f1a6
play it safe
2021-07-27 10:18:55 +02:00
Martin Diehl
64d52dbbf4
store input deck, MSC.Marc now 100% reproducible
2021-07-27 09:46:51 +02:00
Martin Diehl
26ae352a4c
make setup data easily accessible to the user
2021-07-27 09:38:47 +02:00
Martin Diehl
b9d4eb23cc
only rank 0 reads file for MPI
2021-07-27 08:54:17 +02:00
Martin Diehl
812b0f07f5
read file only once (per process)
2021-07-27 08:35:52 +02:00
Martin Diehl
367c088b16
sorting according to dependency (no Makefile)
2021-07-27 08:00:24 +02:00
Martin Diehl
ddb0429a1d
store load case (full reproducibility for grid solver)
2021-07-27 07:57:04 +02:00
Martin Diehl
e01d271ee4
store geometry (for full reproducibility)
2021-07-27 07:43:35 +02:00
Martin Diehl
3b06498c2f
make results self-contained for reproducibility
...
ToDo: same functionality for load and geom
2021-07-27 07:40:55 +02:00
Martin Diehl
f20302e0ee
early initialization of results
...
need to be done before config if config writes to it
2021-07-27 07:27:18 +02:00
Martin Diehl
820d590b6b
write string to result
...
requires to open file without MPI support
2021-07-27 07:25:44 +02:00
Martin Diehl
58c1f5fdc1
write string, only from one MPI process
...
needed to store simulation setup. I don't see a situation where strings
are distributed over multiple processes
2021-07-27 07:23:02 +02:00
Martin Diehl
a891fe4281
keep it simple
2021-07-26 22:59:53 +02:00
Martin Diehl
558a643120
microstructure is now dependentState
2021-07-26 22:56:40 +02:00
Martin Diehl
b5dade2f70
Report slip system definition to result file
2021-07-26 22:49:19 +02:00
Martin Diehl
855186eb83
Merge remote-tracking branch 'origin/development' into report-systems
2021-07-26 20:29:23 +02:00
Martin Diehl
c7ed0e7934
Merge remote-tracking branch 'origin/development' into do-concurrent
2021-07-26 20:20:52 +02:00
Franz Roters
012f09caa7
Merge branch 'plastic-name-behavior-fix' into 'development'
...
adjusted names and behavior of dislo(tungsten + twin) + kinehardening
See merge request damask/DAMASK!419
2021-07-26 14:51:20 +00:00
Sharan Roongta
ac6d31b1f9
Merge branch 'polishing' into 'development'
...
Polishing
See merge request damask/DAMASK!418
2021-07-26 13:09:49 +00:00
Martin Diehl
f1f658bbd2
Merge remote-tracking branch 'origin/development' into plastic-name-behavior-fix
2021-07-26 15:07:53 +02:00
Abisheik Panneerselvam
6a9c892d7b
Merge branch 'write_ipdisplacements' into 'development'
...
Write ip displacements
See merge request damask/DAMASK!414
2021-07-26 09:01:04 +00:00
Martin Diehl
e56f2e09a4
trivial and never used
...
even the more commoly used fucntions for 3x3 matrices are not all in use
2021-07-26 10:22:53 +02:00
Martin Diehl
d19ab4c4f6
co concurrent possible here
...
note: do concurrent cannot be used for the double loops for 66 to 3333!
2021-07-25 14:37:50 +02:00
Martin Diehl
61a3b33e71
output info about used slip/twin systems
2021-07-25 14:11:07 +02:00
Martin Diehl
31a4000655
no need for arbitrary dimension
...
not sure if correct, not used at all (even identity4th for 3 dim is not
used, but now at least tested)
2021-07-25 13:32:11 +02:00
Martin Diehl
3bb5ae3d9e
concurrent/parallel execution is possible here
2021-07-25 13:20:39 +02:00
Martin Diehl
d2b5a4b339
pointer voodoo for ifort
2021-07-25 10:30:44 +02:00
Martin Diehl
18b3424975
handle twin and slip systems
2021-07-25 10:12:01 +02:00
Martin Diehl
c388ab97c9
trying to make sense of HDF5 pointer magic
2021-07-25 09:43:52 +02:00
Martin Diehl
d9ef1ef5e4
write variable length string (as other, best compatibility with h5py)
2021-07-25 09:36:56 +02:00
Martin Diehl
26e1e979f5
length is known
2021-07-24 23:08:05 +02:00
Martin Diehl
71e17ba917
WIP: report active slip systems to DADF5
...
needs further work, currently an array of fixed length strings is
written while all single strings are of variable length type
2021-07-24 22:51:57 +02:00
Martin Diehl
a98ae267a0
option to initialize F_i
...
start simulation with eigenstrain. Works only for moderate
eigentstrains, reaching the plastic limit is most likely an issue.
2021-07-24 18:47:45 +02:00
Martin Diehl
b3f5e12232
using burgers vector of tw/tr system seems to make more sense here
...
otherwise twinning will not work in many cases.
Matching number is only required for nucleation of tw/tr
2021-07-24 18:37:25 +02:00
Sharan Roongta
ae49920256
support single and double quotes in key value pairs also
...
escape characters not supported in double quotes
2021-07-24 17:40:27 +02:00
Martin Diehl
59d09d708e
string array support for attributes
2021-07-24 17:18:31 +02:00
Martin Diehl
eef7b8f0a9
nothing to select anymore
2021-07-24 15:16:30 +02:00
Martin Diehl
d87b10bfe7
symbolic names
2021-07-24 15:03:26 +02:00
Martin Diehl
db07ee2113
supported by recent compilers
2021-07-24 14:35:17 +02:00
Martin Diehl
f22f30e05d
same functionality as for 1D
2021-07-24 14:27:00 +02:00
Martin Diehl
d6ce721a25
need to check type of leaf
...
otherwise, using a [list] where a scalar is expected results in a crash,
not in a meaningful error message
2021-07-24 12:10:59 +02:00
Martin Diehl
931dc99557
not used
...
climb formulation was updated a while ago
2021-07-24 11:21:07 +02:00
Martin Diehl
d4ffc778c2
easier to read
...
removed comment regarding use of dot_state in kinetics_t(w/r). Data stored
in dotState is not reliable, FPI integrator for writes to it and Runge-Kutta
calls the dot state function at different time steps
2021-07-24 07:11:31 +02:00
Martin Diehl
527fd306e2
change of behavior
...
- gamma (state) increases monotoneously
- region of spontaneous annihilation is ignored in dipole formation
2021-07-23 22:25:06 +02:00
Martin Diehl
2a78174547
standard names in source code
2021-07-23 22:17:00 +02:00
Martin Diehl
c46813657f
better to understand
2021-07-23 21:56:34 +02:00
Martin Diehl
f96b0371ac
proper output name/format
2021-07-23 21:48:40 +02:00
Martin Diehl
6936ecb091
sl is the subscript for slip
2021-07-23 21:36:26 +02:00
Sharan Roongta
a5c4e7232c
probably not needed
...
We remove blank spaces while converting to flow YAML.
2021-07-23 18:37:45 +02:00
Sharan Roongta
c347688410
Merge remote-tracking branch 'origin/development' into YAML-improvements
2021-07-23 17:55:03 +02:00
Sharan Roongta
ca8775e0d4
allow " " in YAML, follow yamllint.
2021-07-23 17:45:10 +02:00
Martin Diehl
d216e77ca6
default values for p/q are dangerous
2021-07-23 09:07:39 +02:00
Martin Diehl
2cc8612572
consistent variable names
2021-07-23 07:16:08 +02:00
Martin Diehl
f6378790f1
following python
...
we might want to rename the whole module from 'lattice' to 'crystal'
2021-07-23 06:46:17 +02:00
Martin Diehl
f5af352644
whitespace adjustments
2021-07-23 00:09:51 +02:00
Martin Diehl
d682b477dd
following paper
2021-07-22 23:22:45 +02:00
Martin Diehl
85fd2e3fad
not needed
2021-07-22 23:15:20 +02:00
Martin Diehl
3f7043de74
standard name
2021-07-22 23:15:20 +02:00
Martin Diehl
7e27baacfe
missing conversion
2021-07-22 21:39:05 +02:00
Sharan Roongta
bd9cae11a5
allow multi line scalar list items.
...
If a scalar list item has ',', the parser would consider it as a separator and not a part of the string
For the moment, this scalar item is enclosed with double quotes ""
In the next step, the flow parser should be able to use this quotes as an indicator for strings
2021-07-22 15:51:33 +02:00
Martin Diehl
a03aa97970
default name
2021-07-22 15:41:09 +02:00
Martin Diehl
4fab078d18
multinomial tested+simplified
2021-07-22 15:31:30 +02:00
Martin Diehl
d9aa638ad7
shorter
2021-07-22 15:11:38 +02:00
Martin Diehl
5ac592eb9e
initialize L_(i/p), L_(i,p)0
2021-07-22 12:31:10 +02:00
Martin Diehl
69cc0b528b
do calculation for initialization
2021-07-22 11:38:03 +02:00
Martin Diehl
aa03e59306
same statement, different syntax but silences gfortran runtime warning
...
with automated LHS, compiling in DEBUG mode (tested for mesh solver)
gives:
home/m/DAMASK/src/phase_mechanical.f90:1010:43: runtime error: signed integer overflow:
-9223372036854775808 - 1 cannot be represented in type 'integer(kind=8)'
2021-07-22 11:24:10 +02:00
Martin Diehl
5b66db8a39
only mechanics at the moment
...
will be extended, but most likely differently
2021-07-22 10:12:43 +02:00
Martin Diehl
eb834b635d
unify notation with grid
...
consistent style: Symbols, not descriptions.
also removed untested/unused loginc functionality. Once load cases are
written in YAML, we can introduce the scaling as in DAMASK_grid
2021-07-22 08:48:44 +02:00
Martin Diehl
173a5f8e55
less public/unneeded variables
2021-07-22 07:48:01 +02:00
Martin Diehl
574cfd7034
Merge remote-tracking branch 'origin/development' into more-flexible-L
2021-07-22 00:20:33 +02:00
Martin Diehl
de7ef43095
documenting/silencing gfortran
2021-07-21 23:49:24 +02:00
Martin Diehl
aace5d25a8
initialization needed
2021-07-21 23:19:41 +02:00
Martin Diehl
58a7921966
no need for temp, pack instead of reshape for 1D array
2021-07-21 22:45:04 +02:00
Martin Diehl
b817c620a3
let the computer count
2021-07-21 21:25:33 +02:00
Martin Diehl
23077fd58c
testing coordinates
...
I don't understand why this pattern exists (with w(2) = 3, w(3) = 2),
but it exists
2021-07-21 19:42:53 +02:00
Martin Diehl
5a04a1d661
let the computer do the counting
2021-07-21 19:41:14 +02:00
Martin Diehl
c56979e2ad
single source of truth
2021-07-21 18:47:19 +02:00
Martin Diehl
000007ba59
better test automatically
2021-07-21 18:06:37 +02:00
Martin Diehl
b1ba64e6af
understanding floating point precision
...
double can use 16 or 17 significant figures
- if the leading number is high (above 5 or so), only 16 figures are
significant.
- a trailing 1 is never significant
2021-07-21 18:04:50 +02:00
Martin Diehl
76572e4ca9
standard notation
2021-07-21 16:34:33 +02:00
Martin Diehl
e3e9dfdc60
following paper
2021-07-21 16:29:57 +02:00
Martin Diehl
8feeda6f05
phase_mechanical_elastic should store data related to elasticity
2021-07-21 16:23:21 +02:00
Martin Diehl
fc5237fa80
using central values
2021-07-21 15:46:38 +02:00
Martin Diehl
8259cb3cdc
notation as in paper
2021-07-21 15:03:28 +02:00
Martin Diehl
b2e94974ca
short names
2021-07-21 14:52:37 +02:00
Abisheik Panneerselvam
f25dee4c3a
quad points updated and rounded based on literature values
2021-07-21 14:34:18 +02:00
Sharan Roongta
df1fe39dc2
Merge remote-tracking branch 'origin/development' into write_ipdisplacements
2021-07-21 13:30:12 +02:00
Martin Diehl
9d349f8a7c
symbolic notation
2021-07-21 06:50:28 +02:00
Martin Diehl
b5bf1d525e
Merge remote-tracking branch 'origin/development' into more-flexible-L
2021-07-21 06:36:05 +02:00
Martin Diehl
6f19113072
L, P, F, etc. are second order tensors
2021-07-21 06:19:04 +02:00
Martin Diehl
b98819a36c
adjusting names
2021-07-20 18:29:21 +02:00
Abisheik Panneerselvam
a919ac0aea
Merge branch 'write_ipdisplacements' of git.damask.mpie.de:damask/DAMASK into write_ipdisplacements
2021-07-20 15:35:48 +02:00
Abisheik Panneerselvam
86d918367f
Round quadrature points
2021-07-20 15:34:13 +02:00
Martin Diehl
85735605f8
more flexibility for the L in the load case
...
Note that mixed boundary conditions for L introduce an ambiguity.
Consider:
L = [[1.0, x, x],
[ 0, 0, 0],
[ 0, 0, 0]]
P = [[x, 0, 0],
[x, x, x],
[x, x, x]]
What we need is F^(n+1)=F_dot^(n+1) x Delta_t, where F_dot^(n+1) is
F_dot^(n+1)_ij = L_ik F^n_kj.
So component F_11 has contributions from L_12 and L_13. We first assume
L_12=L_13=0 and then choose F^(n+1)_12 and F^(n+1)_13 to get
P_12=P_13=0. This implicitly gives a solution for L_12 and L_13, which
is however only one out of infinitely many.
2021-07-20 07:10:28 +02:00
Martin Diehl
03b7532cc5
numpy.MaskedArray behavior
2021-07-19 23:27:10 +02:00
Martin Diehl
1c1dc9383e
symbolic names
2021-07-19 22:30:20 +02:00
Abisheik Panneerselvam
4a2e62fdb2
Merge branch 'development' into 'write_ipdisplacements'
...
# Conflicts:
# src/mesh/mesh_mech_FEM.f90
2021-07-19 17:19:40 +00:00
Abisheik Panneerselvam
a654cd4fb1
To avoid fortran double variable truncation for quadrature points
2021-07-19 17:07:43 +02:00
Martin Diehl
97203ff551
document and keep definitions together
2021-07-18 23:30:30 +02:00
Martin Diehl
53b7aab29d
use ph,en access pattern
2021-07-18 09:48:49 +02:00
Martin Diehl
6ad6158bfb
(en)try is the name used in the DADF5 file
2021-07-18 09:44:52 +02:00
Martin Diehl
57ad308a7f
readable
2021-07-18 09:22:12 +02:00
Martin Diehl
d068f45aa0
avoid superflouos damage calculations
2021-07-17 15:25:00 +02:00
Martin Diehl
c109d5a37b
better have different physics separated
2021-07-17 14:06:48 +02:00
Martin Diehl
f9edeb40a5
descriptive names
2021-07-17 11:50:21 +02:00
Martin Diehl
e6d25294d3
separating functionality
2021-07-16 23:32:08 +02:00
Martin Diehl
fc735d6391
substate0 only needed for staggered state-stress integration
2021-07-16 23:19:48 +02:00
Martin Diehl
777620b800
polishing
2021-07-16 22:41:38 +02:00
Martin Diehl
594ad2c310
semi-separate handling of damage
2021-07-16 22:22:41 +02:00
Martin Diehl
2b24224c7e
more meaningful name
2021-07-16 20:52:41 +02:00
Martin Diehl
ed6b1be352
solver handles terminally ill
2021-07-16 20:43:08 +02:00
Martin Diehl
2a84aa7ae4
obvious, no need for comment
2021-07-16 20:32:21 +02:00
Martin Diehl
5f78f1753c
split up thermal
...
only for grid at the moment
2021-07-16 18:03:38 +02:00
Martin Diehl
3f0eafd640
first step towards separating of mechanics, thermal, and damage
2021-07-16 17:53:11 +02:00
Martin Diehl
013c4c0a92
common variable names
2021-07-16 10:31:40 +02:00
Martin Diehl
2f1fa8292b
unify style to majority of occurences
2021-07-16 10:30:45 +02:00
Sharan Roongta
3830492791
Merge remote-tracking branch 'origin/development' into write_ipdisplacements
2021-07-15 17:34:44 +02:00
Sharan Roongta
4d6a9a51ed
correct logic
2021-07-15 17:32:41 +02:00
Abisheik Panneerselvam
94843becda
writing ip displacements (algorithm contain bugs)
2021-07-14 19:33:54 +02:00
Martin Diehl
766db0524f
Merge remote-tracking branch 'origin/Marc-start-material-at-0' into marc2021.2
2021-07-14 18:06:57 +02:00
Martin Diehl
05b319fbfb
easier to read
2021-07-14 06:33:04 +02:00
Martin Diehl
2ffa6cac70
Merge remote-tracking branch 'origin/development' into Marc-start-material-at-0
2021-07-14 06:15:46 +02:00
Martin Diehl
ce3b4d2a2a
Merge branch 'development' into YAML-fixes
2021-07-13 20:27:21 +02:00
Sharan Roongta
45abca90c5
stricter
...
example of invalid YAML--> mechanical:{type: pass}
2021-07-12 22:17:02 +02:00
Sharan Roongta
d2560ebb39
function should return either 'true' or 'false' and not bear the responsibility to throw errors
...
We were forcing every colon to indicate either key or key: value
2021-07-12 21:42:51 +02:00
Martin Diehl
df9a94422f
0-based indexing in MSC.Marc
...
inline with Python library and grid, still need to decide on mesh (neper
is 1-based)
2021-07-10 09:49:29 +02:00
Martin Diehl
136a4b1377
PETSc defines are rather complicated
...
now mpi_f08 can be used on newer PETSc installations if old MPI modules
are not exposed
2021-07-09 18:48:25 +02:00
Martin Diehl
637f78bd52
old name (for PETSc < 3.15)
2021-07-09 14:50:29 +02:00
Martin Diehl
3870a70a4e
HDF5 seems to use MPI (F90 style)
2021-07-09 12:37:39 +02:00
Martin Diehl
8e75e87ad9
Merge branch 'MPI_F08' into polishing-for-beta
2021-07-09 11:32:32 +02:00
Franz Roters
c3e94cf1fe
Marc2021.2 is out!
2021-07-09 08:59:04 +02:00
Martin Diehl
f54bd8f3a9
correct capitalization
2021-07-08 17:56:49 +02:00
Martin Diehl
139f2c177a
use MPI_f08 if possible
...
most PETSc installations provide outdated MPI (f90 version)
MPI_COMM_WORLD is now of derived type (Fortran 08 style)
PETSC_COMM_WORLD is the plain integer (f90 style) alias.
Note that HDF5 is assumed to have f90 interfaces
2021-07-08 16:27:37 +02:00
Martin Diehl
4c3ff4bef4
consistent capitalization
2021-07-08 15:05:01 +02:00
Martin Diehl
58bc6e2ba6
avoid chained inclusions
2021-07-08 14:27:04 +02:00
Martin Diehl
69415d2e05
not needed
2021-07-08 12:30:00 +02:00
Martin Diehl
3c6c5d77e8
following paper
2021-07-06 22:58:18 +02:00
Martin Diehl
a13e02da44
easier to follow
2021-07-06 22:33:12 +02:00
Martin Diehl
cd9d704aae
bug fixes:
...
invalid material.yaml, detect such errors in future
2021-07-05 11:30:52 +02:00
Martin Diehl
f0a75d8d62
consistent capitalization
...
Capitals for pre processor macros to avoid clashes
2021-07-04 17:43:19 +02:00
Martin Diehl
6dc70fa4e7
not used anywhere
...
was only required for ductile damage
2021-07-04 08:51:53 +02:00