Commit Graph

4194 Commits

Author SHA1 Message Date
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