Commit Graph

2538 Commits

Author SHA1 Message Date
Martin Diehl f93336b072 postResults for isotropic not needed anymore 2019-10-20 13:21:51 +02:00
Martin Diehl 11993a3ad1 phasing out crystallite output
some outputs are still needed for a few remaining tests.
2019-10-20 12:03:08 +02:00
Martin Diehl fe94718bcd avoid accessing null-pointer 2019-10-20 10:32:14 +02:00
Martin Diehl 65eb4e364f phasing out postResults 2019-10-19 23:14:17 +02:00
Martin Diehl 603973e963 correct output for multipe integration points 2019-10-19 19:55:00 +02:00
Martin Diehl 3de605d782 better name 2019-10-19 16:06:01 +02:00
Martin Diehl 1253c6abf1 Merge remote-tracking branch 'origin/development' into labeled-systems 2019-10-18 19:31:08 +02:00
Sharan Roongta 2c0264191e typo! 2019-10-18 17:13:19 +02:00
Martin Diehl de912c22b4 Merge branch 'development' into HDF5-spectral-displacements 2019-10-18 12:54:12 +02:00
Franz Roters fea6c268a8 Merge branch 'nonlocal-again-with-Marc' into 'development'
Nonlocal again with marc

See merge request damask/DAMASK!99
2019-10-18 11:30:15 +02:00
Franz Roters 7ddb724861 [skip ci] corrected wrongly copied comment 2019-10-18 11:27:37 +02:00
Sharan Roongta cebbfc906d Merge branch 'hex-reorder-2ndtry' into development 2019-10-17 14:58:43 +02:00
Martin Diehl b9027e3257 checking size of unallocated array does not work 2019-10-17 08:40:05 +02:00
Martin Diehl 88df7f2957 store cell normal directions 2019-10-17 07:48:57 +02:00
Martin Diehl b386dc73b2 enable to non-transposed tensor data
usually, we store per data per cell, i.e. len(shape(x)) == 3 means x is
a tensor.
Due to the use of transposed tensors (due to column-major storage order
in Fortran), we usually want to store the transpose of (3x3) tensors.
Now the default can be changed
2019-10-17 07:46:20 +02:00
Martin Diehl 008f717c08 avoid reading from file 2019-10-17 06:10:00 +02:00
Martin Diehl 2b68c108f0 read from memory, not from file 2019-10-17 05:54:08 +02:00
Martin Diehl f33a99d125 polishing 2019-10-17 00:21:48 +02:00
Martin Diehl 3f481e1cea corrected volume calculation and write to DADF5.
follows https://www.osti.gov/servlets/purl/632793/
2019-10-16 22:00:25 +02:00
Martin Diehl 9b5545229f leftover comment ... 2019-10-16 21:13:43 +02:00
Martin Diehl 95ecc05cb0 better test ... 2019-10-16 21:13:26 +02:00
Martin Diehl 0ae0e23325 volume calculation was wrong
could result in negative volumes
2019-10-16 20:56:31 +02:00
Martin Diehl dbe15f88f2 bugfix: forgot to read file
first draft of nonlocal functions for area normal, area, and volume
2019-10-16 17:19:19 +02:00
Martin Diehl 4e213514bd cleaning 2019-10-16 13:04:20 +02:00
Martin Diehl 3a1c4f95c3 some polishing 2019-10-16 08:40:27 +02:00
Martin Diehl 3abb549eab better encapsulation
inputRead fully parses the input file and gives back the required data
2019-10-16 04:45:38 +02:00
Martin Diehl 0f77d2efdb consistent use of subroutines
clearly reveal input(out) arguments
2019-10-16 04:22:21 +02:00
Martin Diehl ffb4b2a455 theMesh is not useful
maybe a shared mesh class becomes useful when Abaqus and PETSc mesh
require similar functionality
elem type can be reported directly
2019-10-16 03:57:51 +02:00
Martin Diehl 1d70d9b6ae mesh type not very beneficial 2019-10-15 21:58:49 +02:00
Martin Diehl c4db2841ab further cleaning 2019-10-15 14:16:03 +02:00
Martin Diehl aab19af131 consistent use of subroutines, not functions.
grouping file reading into meta function
2019-10-15 12:54:46 +02:00
Franz Roters 91691744c6 Merge branch 'Marc-No-nonlocal' into 'development'
Marc no nonlocal

See merge request damask/DAMASK!98
2019-10-15 10:35:37 +02:00
Martin Diehl 9ee709d214 polishing 2019-10-14 15:09:16 +02:00
Martin Diehl 1726d95a56 wrong macro was defined 2019-10-14 14:39:53 +02:00
Martin Diehl dcbd7624dd array order was wrong 2019-10-14 11:25:48 +02:00
Martin Diehl 57af822396 better readable 2019-10-14 10:36:59 +02:00
Martin Diehl 57fef8fa57 consistent naming 2019-10-14 10:08:35 +02:00
Martin Diehl fae4546cfd polishing 2019-10-14 09:37:31 +02:00
Martin Diehl 513b1906f6 bugfixes:
cell definition was not stored correctly due to wrong indexing
2019-10-14 08:23:21 +02:00
Martin Diehl c41d8eb257 use new data structure to calculate cell node coordinates 2019-10-13 23:34:03 +02:00
Martin Diehl 2b65c888c4 avoid public variables 2019-10-13 22:16:42 +02:00
Martin Diehl 33e639426a polishing 2019-10-13 21:45:08 +02:00
Martin Diehl d03efade06 better calculate nodes later 2019-10-13 21:09:49 +02:00
Martin Diehl 369cae5332 no public variables 2019-10-13 20:52:49 +02:00
Martin Diehl 6456f9891b avoid public variables 2019-10-13 20:34:20 +02:00
Martin Diehl c2a8701940 further removal of deprecated stuff 2019-10-13 19:55:25 +02:00
Martin Diehl 4999aa4e14 more cleaning 2019-10-13 19:41:55 +02:00
Martin Diehl e0cb1a87cd cleaning 2019-10-13 19:22:57 +02:00
Martin Diehl e3b16639bf native integer needs to match
otherwise, results are wrong. Therefore, we need to use our own HDF5
library since MSC provides one for 4 byte integers
2019-10-13 18:20:54 +02:00
Martin Diehl 004abc2d4e cell node definition needs to be stored 2019-10-13 13:28:04 +02:00
Martin Diehl ed1d06d6f1 make functions independent of file state 2019-10-13 11:53:35 +02:00
Martin Diehl 9ea91b84e8 easier to read and without file access 2019-10-13 11:48:27 +02:00
Martin Diehl 680ed535d7 avoid file operations and line labels 2019-10-13 10:42:34 +02:00
Martin Diehl d6b6096007 avoid global variables 2019-10-12 22:40:00 +02:00
Martin Diehl 7611513bb8 strange indentation 2019-10-12 22:18:55 +02:00
Martin Diehl 4c9bc326f6 better read file only once 2019-10-12 21:58:26 +02:00
Martin Diehl e6d25bfdab almost no shared functionality 2019-10-12 19:24:03 +02:00
Martin Diehl d8d99f3694 geometry folder needs to be created earlier 2019-10-12 16:39:44 +02:00
Martin Diehl fabab08936 did not run without HDF5 support 2019-10-12 16:25:59 +02:00
Martin Diehl 8cebf8a10d needed 2019-10-12 15:50:10 +02:00
Martin Diehl 734e6ef15f writing initial coordinates to DADF5 2019-10-12 15:03:26 +02:00
Franz Roters e85e13b380 [skip ci] only corrections to comments made 2019-10-11 15:21:29 +02:00
Martin Diehl bf35589d66 DOI was pointint to the correction 2019-10-11 12:31:46 +02:00
Martin Diehl b502300ffc get labels of slip and twin systems
this info is for HDF5 output
2019-10-10 13:11:02 +02:00
Martin Diehl 1d51443607 polishing/unifying names 2019-10-10 12:26:45 +02:00
Martin Diehl 02d7ead3ab better readable 2019-10-10 12:10:13 +02:00
Martin Diehl cf0e279d93 labels were not used
better use automated labeling of all systems
2019-10-10 10:48:55 +02:00
Martin Diehl a2a05158f2 not existing anymore 2019-10-09 01:32:19 +02:00
Martin Diehl df3bb7c559 cleaning 2019-10-08 23:53:16 +02:00
Martin Diehl 90c03d94d1 further separation for clearer structure 2019-10-08 19:08:29 +02:00
Martin Diehl b647245e39 general polishing 2019-10-08 18:52:34 +02:00
Martin Diehl 7d438d3868 not needed 2019-10-08 17:37:30 +02:00
Martin Diehl 040cd3e35d no public variables 2019-10-08 17:26:02 +02:00
Martin Diehl 16fd608da6 more reasonable name 2019-10-08 17:12:53 +02:00
Martin Diehl 098f2903ea not used anymore 2019-10-08 17:04:27 +02:00
Martin Diehl 5e79c360e9 no need for double definition 2019-10-08 10:03:03 +02:00
Martin Diehl 04272f88d5 untangling
- avoid public variables
- openMP in initialization hardly useful
- structure of init should reflect tasks:
1) reading
2) discretization
3) nonlocal stuff
2019-10-08 09:30:32 +02:00
Martin Diehl 795939c989 tests for re-ordered systems + new PETSc 3.11 2019-10-07 20:23:17 +02:00
Martin Diehl 2d7293726c more useful order 2019-10-07 18:04:29 +02:00
Martin Diehl 7f403ad50e avoid global variables 2019-10-05 20:23:33 +02:00
Martin Diehl 18b8e71f69 polishing 2019-10-05 20:09:01 +02:00
Martin Diehl 1d35699884 ip volume is only needed by plastic nonlocal 2019-10-05 19:46:08 +02:00
Martin Diehl 076aa3f72b not needed 2019-10-05 17:37:14 +02:00
Martin Diehl 019f0556e6 better have explicit arguments 2019-10-05 17:18:21 +02:00
Martin Diehl 0b29d08109 bump to DADF5 v0.3
contains displacements (for grid solver)
2019-10-03 19:02:17 +02:00
Martin Diehl fd3f8e2cc7 fixed precision even if compiler flag is not set 2019-09-29 15:59:10 -07:00
Martin Diehl d47dff9dd8 typo 2019-09-29 14:18:21 -07:00
Martin Diehl ad75ebd973 polishing 2019-09-29 11:26:57 -07:00
Martin Diehl 56c0f30687 tried to send to much data 2019-09-29 10:34:55 -07:00
Martin Diehl 8e5fd7c5e8 nodal discplacements for MPI
needs improvement with respect to readability and placement of origin
2019-09-29 10:04:07 -07:00
Martin Diehl e04b074f3c easier to read 2019-09-28 18:32:17 -07:00
Martin Diehl c71374a3f3 do not write nodes shared over several processes
- probably useful only for grid solver, FEM have connectivity matrix
anyway
- name could be improved (in fact, the index is the last not-shared
node)
2019-09-28 18:08:15 -07:00
Martin Diehl 3206ee04bc nodal displacements for grid solver
currently for non-MPI only
2019-09-27 20:38:02 -07:00
Martin Diehl 5ba6b6c244 name reflects planned functionality:
should update node and cell center coordinates
2019-09-27 15:02:36 -07:00
Martin Diehl cc54139dae no need for being compatible 2019-09-27 14:54:02 -07:00
Martin Diehl fc6b603e3d names reflect functionality 2019-09-27 14:48:51 -07:00
Martin Diehl e311c913b8 avoid public variable without write protection 2019-09-27 14:44:28 -07:00
Martin Diehl 13c62b890b module name should reflect file name 2019-09-27 14:34:34 -07:00
Martin Diehl 032b65fe65 not needed 2019-09-27 14:33:56 -07:00
Martin Diehl 8fd9341e39 not needed 2019-09-27 14:23:19 -07:00
Martin Diehl 114f21e8f7 setter for current nodal coordinates 2019-09-27 14:07:34 -07:00
Martin Diehl 2bb6f74de9 use new data structure 2019-09-27 14:07:03 -07:00
Martin Diehl 2e63affe47 [skip ci] better to read 2019-09-25 12:48:16 -07:00
Martin Diehl 9ebd91312a avoid size(xxx) of unallocated xxx 2019-09-25 12:21:57 -07:00
Martin Diehl fc090a1960 [skip ci] indentation only 2019-09-25 12:05:37 -07:00
Martin Diehl 116f43f401 [skip ci] indentation hick-up 2019-09-23 22:15:13 -07:00
Martin Diehl ffcb7a0a24 aim of the calculation clearer
don't know if brackets are honored here
2019-09-23 09:31:14 -07:00
Martin Diehl da041f43bc floating point arithmetic refinement
Intel 18.4 could not detect 0.0
2019-09-23 09:29:38 -07:00
Martin Diehl 96811f77ca not used 2019-09-23 06:50:25 -07:00
Martin Diehl 0620eae797 less code 2019-09-23 06:48:39 -07:00
Martin Diehl 611cc9bcae preprocessor does not allow spaces 2019-09-23 06:48:20 -07:00
Martin Diehl 48e0a7ad97 no floating point comparison for equality 2019-09-23 06:35:02 -07:00
Martin Diehl b8204015f5 wrong type (math_range returns integers) 2019-09-23 06:29:32 -07:00
Martin Diehl 02fef16b38 used only by MARC/Abaqus 2019-09-23 06:28:10 -07:00
Martin Diehl 78344c01ac avoid floating point comparison 2019-09-23 05:37:36 -07:00
Martin Diehl da15ff85f3 tests now operational 2019-09-23 00:11:45 -07:00
Martin Diehl 285dab4451 self consistent solutions 2019-09-22 23:53:56 -07:00
Martin Diehl bbb2441cc2 preparing more tests 2019-09-22 22:08:19 -07:00
Martin Diehl 0655ef2c90 small precision adjustments required
one in a Mio might have degenerated precision...
Also now finally testing core functionality
2019-09-22 21:58:18 -07:00
Martin Diehl c1398e5fa4 more robust agains overflow + tests 2019-09-22 21:41:00 -07:00
Martin Diehl 40099fd581 typo 2019-09-22 17:46:37 -07:00
Martin Diehl 9fd65b0617 need to relax tolerance for case 3 2019-09-22 16:57:16 -07:00
Martin Diehl d1566aa5bf GNU 8 has issues with IEEE_infinite
errors occur when running aggressively optimized code. GNU 9.1 seems to
be ok
2019-09-22 16:05:41 -07:00
Martin Diehl c0210659b6 statUnit was not opened, stat file was written to STDERR 2019-09-22 15:56:37 -07:00
Martin Diehl 26bdcd64b9 this might resolve the occasional MPI restart test failuers 2019-09-22 15:34:05 -07:00
Martin Diehl 4ff292ba70 IEEE infinite causes problems with older GNU 2019-09-22 14:46:27 -07:00
Martin Diehl 171a93ca30 also small negative values cause problems
Logic differs from the original formulation now
2019-09-22 14:17:17 -07:00
Martin Diehl 6b5b0fae22 mixed up real and aimag part in quaternion
+ some tests
2019-09-22 12:10:39 -07:00
Martin Diehl 25c9bb1cd7 testing some corner cases 2019-09-22 11:29:34 -07:00
Martin Diehl 62174a8978 testing all conversions
using norm(Delta q) ensures that the quality of the conversion is
tested, not the numerical properties of any orientation representation.
2019-09-22 11:15:27 -07:00
Martin Diehl 6e5b9ca665 unused variables 2019-09-22 08:54:59 -07:00
Martin Diehl 77011a5dba this fix restores the previous behavior of dislotwin
very strange behavior in plasticity_detect changes for dislotwin. This
fix restores the old behavior with respect to number of iterations.
Using orientation%fromMatrix() results in much more iterations and an
increase in runtime for the test from approx 6 min to 40 min. Results
still match in the end. Also, crystallite_Fp0 differs by approx 1e-15
only between the two methods.
I assume that something is wrong with either dislotwin or the
state/stress integration
2019-09-22 07:46:30 -07:00
Martin Diehl de632ec85c better names 2019-09-22 07:22:24 -07:00
Martin Diehl 372536d57e unit test for rotation class 2019-09-22 06:53:03 -07:00
Martin Diehl 5fa1ecb170 determinant calculations give slightly different results 2019-09-22 06:41:55 -07:00
Martin Diehl 30afaf2a95 bugfic: Blocksize parameter was too small 2019-09-21 23:45:54 -07:00
Martin Diehl 51bd67fa29 findloc is in gfortran 9.1 2019-09-21 23:03:53 -07:00
Martin Diehl 25d91c79af larger block size seems favorable 2019-09-21 23:03:27 -07:00
Martin Diehl 8b908fb350 some more testing 2019-09-21 21:25:55 -07:00
Martin Diehl a963f1d2c3 better explicit 2019-09-21 09:16:58 -07:00
Martin Diehl f5caee8026 issue now clearer 2019-09-21 08:23:56 -07:00
Martin Diehl 7ef4aca170 vectorized
there seems to be a conflict in the definition of the projection for
edge and screw.
Nonlocal uses the transpose compared to dislotwin/disloUCLA.
2019-09-21 08:21:39 -07:00
Martin Diehl 8013dec45f safer 2019-09-21 07:14:45 -07:00
Martin Diehl 7837a6dc01 not used ...
... and equivalentStress33 seemed wrong
... and equivalentStrain33 was confusing
2019-09-20 18:45:54 -07:00
Martin Diehl a17046cfdf full merger 2019-09-20 18:44:23 -07:00
Martin Diehl a16af9a7ad single source of truth 2019-09-20 18:33:12 -07:00
Martin Diehl 97127f9034 following standard: Output first 2019-09-20 18:28:46 -07:00
Martin Diehl 53283d5c01 using newer interface 2019-09-20 18:20:33 -07:00
Martin Diehl 09c1150e3c more error checking 2019-09-20 18:16:08 -07:00
Martin Diehl c1d1c83088 better check input data 2019-09-20 17:49:55 -07:00
Martin Diehl a8b72c3f53 even better to read 2019-09-20 17:42:55 -07:00
Martin Diehl 7fe3e3b406 easier to read 2019-09-20 17:38:57 -07:00
Martin Diehl 44125f3f09 convenience function for symmetric 4th order tensors
unfortunately, array size does not qualify to distinguish generics
2019-09-20 17:36:37 -07:00
Martin Diehl ad83c8541d same names as in python 2019-09-20 17:18:09 -07:00
Martin Diehl 7e6265b128 make use of consistency checks 2019-09-20 16:52:55 -07:00
Martin Diehl ef4204da14 Merge branch 'MiscImprovements' of magit1.mpie.de:/damask/DAMASK into MiscImprovements 2019-09-20 16:48:50 -07:00
Martin Diehl 6c0e92d5c1 functionality to rotate 4-tensor 2019-09-20 16:47:44 -07:00
Martin Diehl 4dfb1f6450 next try for MARC 2019 2019-09-21 01:07:04 +02:00
Martin Diehl 93c8aa8f75 bugfix: used uninitialized vector 2019-09-21 00:08:14 +02:00
Martin Diehl 7ff106a1fc better readable 2019-09-20 08:45:23 -07:00
Martin Diehl d69d57221d consistent type handling and stronger encapsulation
components of quaternion are private now
qu is an array, not a quaterion (as in the python module). conceptually
cleaner because eu,ax,om, etc. are also plain array
2019-09-20 08:36:16 -07:00
Martin Diehl 0b6620bfb7 Merge branch 'development' into MiscImprovements
F***ing commits to development!
2019-09-20 07:40:52 -07:00
Martin Diehl 42fba28fa1 getting rid of conversions with unclear behavior 2019-09-20 07:37:58 -07:00
Martin Diehl 76eaa9855f correct type (pReal) 2019-09-20 06:57:39 -07:00
Martin Diehl 47fe5b9c15 Merge branch 'MiscImprovements' of magit1.mpie.de:/damask/DAMASK into MiscImprovements 2019-09-20 06:54:23 -07:00
Martin Diehl 052ee10fcb sanity checks as in python class 2019-09-20 06:53:49 -07:00
Martin Diehl e8ed25d361 messages were not used anymore 2019-09-20 06:40:21 -07:00
Martin Diehl 23dba41a09 absolutely not needed
the solvers report when they are initialized
2019-09-20 05:41:12 -07:00
Martin Diehl c75609f8f0 Marc 2019 does not work with HDF5
Seems that Marc 2019 brings its own HDF5. Basically good news, but
should be resolved in a separate branch
2019-09-20 14:23:06 +02:00
Philip Eisenlohr 31f39fac82 [skip ci] fixed confusion about n in Li tangent: prm%n was meant but forall index n was used! 2019-09-20 08:05:15 -04:00
Martin Diehl 27732b1c0d better use rotation class functionality 2019-09-19 23:32:19 -07:00
Martin Diehl a70779965c some helper functions for further transition 2019-09-19 22:50:30 -07:00
Martin Diehl 01561a2bae polishing 2019-09-19 22:07:02 -07:00
Martin Diehl d11f401c67 removed unused variables and correct type casting
I don't believe that n is correct here ...
2019-09-19 19:53:00 -07:00
Martin Diehl 792dda866d rotation class has consistent set of conversions
crytallite_oriention0 was essentially a copy of material_EulerAngles
2019-09-19 19:42:28 -07:00
Martin Diehl a94c104c75 using texture class 2019-09-19 19:14:37 -07:00
Martin Diehl 5d0a67e5dc texture class replaces manual conversions 2019-09-19 18:25:51 -07:00
Martin Diehl e48059d6f1 correct name 2019-09-19 16:56:43 -07:00
Martin Diehl 08d2cdcb25 forall is deprecated in Fortran 2018 2019-09-19 14:24:13 -07:00
Martin Diehl b41d6182a5 safe use of optional argument 2019-09-19 14:20:02 -07:00
Martin Diehl f6c616c84b consistent orientation/quaternion handling is in own submodule 2019-09-19 13:59:18 -07:00
Martin Diehl 7fa979f800 removed unused function
were based on/used for deprecated orientation handling
2019-09-19 13:51:37 -07:00
Martin Diehl be0d961954 cleaning 2019-09-19 13:40:03 -07:00
Martin Diehl e82fdbcdfa use more appropriate name 2019-09-19 13:39:22 -07:00
Martin Diehl ddff2cb6e7 newer versions of PGI provide norm2
https://www.pgroup.com/resources/docs/19.7/x86/pgi-release-notes/index.htm#what-is-new-197
2019-09-19 13:38:45 -07:00
Martin Diehl f1d29da056 does not work anymore
dump functions were removed from IO, migrate to HDF5 if needed
2019-09-19 13:07:18 -07:00
Martin Diehl 5ab8f55f21 [skip ci] fixed indentation 2019-09-19 12:58:51 -07:00
Martin Diehl d0579bb674 data layout and names as discussed with Karo and Philip 2019-09-19 12:48:04 -07:00
Martin Diehl 5f1934bacb adopting indentation 2019-09-19 11:40:59 -07:00
Martin Diehl 34e0dd1c64 polishing 2019-09-19 11:00:41 -07:00
Franz Roters 2aaa5ff8e7 Merge branch 'Dislotwin-climb2' into 'development'
Dislotwin climb2

See merge request damask/DAMASK!94
2019-09-19 11:19:05 +02:00
Franz Roters d6e93367eb [skip ci] clarified comment 2019-09-19 11:17:23 +02:00
Philip Eisenlohr b06c5bd686 Merge branch 'even-more-HDF5-postprocessing' into development 2019-09-18 21:14:19 -04:00
Franz Roters 036794e7d3 support for Marc2019 2019-09-17 15:53:49 +02:00
Martin Diehl 462bb07efd Merge branch 'development' into even-more-HDF5-postprocessing 2019-09-11 16:29:44 -07:00
Martin Diehl 15e796d599 Merge branch 'development' into Dislotwin-climb2 2019-09-11 12:06:29 -07:00
Eureka Pai Kulyadi ca760f9ca1 added text lines 2019-09-06 15:47:02 -04:00
Eureka Pai Kulyadi cf37f8d405 added some lines to help while debugging 2019-09-06 15:45:49 -04:00
Eureka Pai Kulyadi 836172028d modified plastic_isotropic_LiAndItsTangent to behave correctly 2019-09-06 15:44:38 -04:00
Vitesh Shah fbf82fbca8 Referencing 2019-09-05 09:42:45 +02:00
Martin Diehl 7ce098c75c small polishing 2019-09-04 14:52:44 -07:00
Martin Diehl 2fc66cff5b better readable 2019-09-04 14:30:26 -07:00
Martin Diehl dba49fe387 parameter was not read
thanks to Vitesh for reporting
2019-09-04 07:18:41 -07:00
Vitesh Shah be5e68249f Conflicts resolved 2019-08-20 14:29:11 +02:00
Vitesh Shah b854e7ee08 Decision based on possibility of partials 2019-08-20 13:54:51 +02:00
Vitesh Shah c71b060c48 Improved syntax for binary switches 2019-08-20 10:56:36 +02:00
Martin Diehl d2affaa414 clearer logic 2019-08-16 14:10:12 -07:00
Martin Diehl 38755cb30d polishing 2019-08-16 13:56:52 -07:00
Vitesh Shah 50b372d9f1 ClimbSwitch introduced 2019-08-16 15:57:11 +02:00
Vitesh Shah 5dfd13b759 documenting new variables 2019-08-16 15:07:19 +02:00
Vitesh Shah 5a72f513c7 SFE not equal to zero 2019-08-15 13:56:59 +02:00
Vitesh Shah 310d262e9f nearest neighbour number is 12 for fcc 2019-08-15 13:55:12 +02:00
Vitesh Shah 860ef2f256 Corrected the calculation of sigma_cl 2019-08-01 15:29:32 +02:00
Vitesh Shah d40e4a3800 SFE at 0K can be negative as well 2019-07-30 10:53:19 +02:00
Vitesh Shah f786fcd5f1 Better name for climb stress 2019-07-27 11:07:36 +02:00
Martin Diehl 7ccc097406 for testing output of materialpoint results 2019-07-15 17:08:18 -07:00
Martin Diehl fa6e88970c avoid empty entries 2019-07-15 13:53:34 -07:00
Martin Diehl eeb5f45e88 adopted from Viteshs branch 2019-07-05 22:55:08 -07:00
Martin Diehl 4340c558d7 named as in DAMASK paper 2019-07-05 22:26:51 -07:00
Martin Diehl 5ff4664b6d polishing 2019-06-30 22:09:51 -07:00
Martin Diehl 619c67cc19 fixed array access 2019-06-30 01:29:36 +02:00
Martin Diehl 7ad343c9b6 polishing 2019-06-29 15:06:47 -07:00
Martin Diehl a04be84719 avoid uninitialized array 2019-06-29 10:26:29 -07:00
Martin Diehl bf8ac403f1 polishing, Part II 2019-06-29 10:15:17 -07:00
Martin Diehl c6c1d2ab8d polishing 2019-06-29 10:01:18 -07:00
Martin Diehl 4b10522bee catch user inputs that result in division by zero 2019-06-28 17:52:38 -07:00
Martin Diehl a88baf93b2 avoid division (mod) by zero 2019-06-28 17:09:27 -07:00
Martin Diehl 1d2a7d0917 fixed copy and paste errors 2019-06-28 16:51:03 -07:00
Martin Diehl b7ac91480a safe for DEBUG=ON and N_tr=N_tw=0 2019-06-28 16:35:31 -07:00
Martin Diehl 02744406e8 was not used 2019-06-16 02:11:09 +02:00
Martin Diehl 860a6d5d49 copy and paste error 2019-06-15 22:37:31 +02:00
Martin Diehl 43a17a17a2 clearer logic, no outdated comments 2019-06-15 20:49:48 +02:00
Martin Diehl e30478127d cleaned 2019-06-15 20:42:16 +02:00
Martin Diehl 2c4f1eb173 adjusting indentation 2019-06-15 20:37:53 +02:00
Martin Diehl 6370dd1a43 white space adjustments 2019-06-15 18:27:38 +02:00
Martin Diehl f54a6cdc3b white space adjustments 2019-06-15 16:42:16 +02:00
Martin Diehl 4256f67919 polishing 2019-06-15 16:21:37 +02:00
Martin Diehl 25d02c2f19 most of the functionality is only relevant for commercial FEM 2019-06-15 16:21:04 +02:00
Martin Diehl 0c52262e4a white space adjustments 2019-06-15 15:44:15 +02:00
Martin Diehl 9f35267470 not needed 2019-06-15 15:43:43 +02:00
Martin Diehl 85e6885ea7 white space adjustments 2019-06-15 15:41:37 +02:00
Martin Diehl 3de3ebdd43 documentation was missing 2019-06-15 15:40:43 +02:00
Martin Diehl 82bb887cdf white space adjustments 2019-06-15 15:40:22 +02:00
Martin Diehl 856ef15184 moved (back) to a better place 2019-06-15 15:37:13 +02:00
Martin Diehl 57a0d33293 consistent names 2019-06-15 14:33:20 +02:00
Martin Diehl 8c5d0a5591 populateGrains and material_phase not needed 2019-06-15 14:10:45 +02:00
Martin Diehl 937a84231f material_phase is deprecated 2019-06-15 13:57:24 +02:00
Martin Diehl 72298205a7 Merge branch 'MiscImprovements' of magit1.mpie.de:/damask/DAMASK into MiscImprovements 2019-06-14 17:24:44 +02:00
Martin Diehl b720d2b2d7 all keys are small letters 2019-06-14 17:24:26 +02:00
Martin Diehl 84b60259bf apparently not needed 2019-06-14 10:08:04 +02:00
Martin Diehl 3f87a87a4e wrong counting
currently quite ugly, but planned changes for state structure will give
overcome this
2019-06-14 10:05:39 +02:00
Martin Diehl 083fdb13b4 material_phaseAt and material_phaseMemberAt substitute material_phase 2019-06-14 09:37:01 +02:00
Martin Diehl 59cb70198e phasememberAt not needed anymore 2019-06-14 09:17:05 +02:00
Martin Diehl 9c4f92a01c substitute phasememberAt with material_phaseMemberAt
need to be clear where a global variable is defined
2019-06-14 09:09:16 +02:00
Martin Diehl 7a878cab3a phaseAt(c,i,e) substituted by material_phaseAt(c,e) 2019-06-14 09:02:28 +02:00
Martin Diehl 7a76740c31 using new names 2019-06-14 08:51:23 +02:00
Martin Diehl 0f531d5dee clearer name 2019-06-14 08:42:12 +02:00
Martin Diehl 84c69e0f6e output names follow variable names 2019-06-13 23:23:11 +02:00
Martin Diehl 47e0d83562 taking care of compiler hints 2019-06-13 22:24:51 +02:00
Martin Diehl 47df2b581e does not exist anymore 2019-06-13 19:09:49 +02:00
Martin Diehl 4651bfdb90 [skip ci] clearer logic 2019-06-13 09:59:37 +02:00
Martin Diehl c7513b010b use definition from element 2019-06-13 09:13:03 +02:00
Martin Diehl 17761c1864 better use function arguments 2019-06-13 07:38:19 +02:00
Martin Diehl 42beb5c227 same label everywhere 2019-06-13 07:25:26 +02:00
Martin Diehl 78d604df7d cleaning 2019-06-13 07:06:01 +02:00
Martin Diehl e117ffbc0c cleaning 2019-06-13 00:39:35 +02:00
Martin Diehl 2d52560b6d unused 2019-06-13 00:05:29 +02:00
Martin Diehl ee8678d606 better readable 2019-06-13 00:01:38 +02:00
Martin Diehl b49feea5e9 polishing 2019-06-12 23:31:46 +02:00
Martin Diehl b1d06eced2 not used 2019-06-12 21:13:21 +02:00
Martin Diehl 0a5dc6d503 HDF5 is not always available 2019-06-12 19:59:17 +02:00
Martin Diehl 8564aa51d1 was missing 2019-06-12 19:57:48 +02:00
Martin Diehl 9a9e99739e Merge branch 'marc-mesh-simplification' of magit1.mpie.de:/damask/DAMASK into marc-mesh-simplification 2019-06-12 19:56:57 +02:00
Martin Diehl ac493adc5c commenting and discussing with Franz 2019-06-12 19:11:29 +02:00
Martin Diehl ecda57e29a using rotation class (where possible)
differences between backward rotation need to be investigated
2019-06-12 15:58:21 +02:00
Martin Diehl 648f899838 clearer (and possibly faster) logic 2019-06-12 15:58:21 +02:00
Martin Diehl 1b595b4864 initialize from Eulers (common case) 2019-06-12 15:58:21 +02:00
Martin Diehl 04a6054047 no need to transfer data via global variables 2019-06-12 15:58:21 +02:00
Martin Diehl a6c0f500ff simplifying 2019-06-12 15:58:21 +02:00
Martin Diehl ab4026e707 pInt not needed 2019-06-11 16:34:07 +02:00
Martin Diehl 9379d1884e further cleaning 2019-06-11 16:16:10 +02:00
Martin Diehl ceecea418e no frills 2019-06-11 15:36:04 +02:00
Martin Diehl 8956f7f6da pInt not needed 2019-06-11 14:52:27 +02:00
Martin Diehl 82ab1f5e10 sorted for better readability 2019-06-11 14:29:10 +02:00
Martin Diehl f2be94ed5f function better suited for single return value
use correct shapes (1D list) for return value
2019-06-11 14:15:10 +02:00
Martin Diehl b2409d6998 cleaning 2019-06-11 13:34:55 +02:00
Martin Diehl 9dfe71aa06 better readable 2019-06-10 09:42:23 +02:00
Martin Diehl c8f3808dab pInt not needed 2019-06-09 16:30:30 +02:00
Martin Diehl f6379e1f0e cleaning 2019-06-09 16:27:05 +02:00
Martin Diehl 676c772a98 many variables do not need to be public anymore 2019-06-08 12:02:52 +02:00
Martin Diehl 54cc3786f5 currently not used
needs extension to MPI situations to calculate displacement for HDF5 out
2019-06-08 11:16:47 +02:00
Martin Diehl d6d5f4e66f polishing 2019-06-08 11:15:01 +02:00
Martin Diehl aeb57b2fb6 better readable 2019-06-08 10:38:10 +02:00
Martin Diehl cb3ce1edd3 removing leftovers from populate grains 2019-06-07 13:39:40 +02:00
Martin Diehl deda700be1 simplified 2019-06-07 12:21:12 +02:00
Martin Diehl 86a720be8c ensure memory release 2019-06-07 12:19:36 +02:00
Martin Diehl ca97c3db18 connectivity is not needed 2019-06-07 10:34:02 +02:00
Martin Diehl 33ed1fa06c further removal of mesh quantities 2019-06-07 10:33:49 +02:00
Martin Diehl f22fcc7271 further removal of mesh 2019-06-07 10:20:56 +02:00
Martin Diehl 52f036e062 fixed outdated comment 2019-06-07 08:19:24 +02:00
Martin Diehl 4025951dc1 missing use caused compilation error 2019-06-07 08:17:26 +02:00
Martin Diehl b77ce718cf mesh_element/theMesh deprecated 2019-06-07 07:49:45 +02:00
Martin Diehl c7703d7aaf preprocessor statements need to start at column 0 2019-06-07 07:45:54 +02:00
Martin Diehl 042ff7e491 microstructure is only a property of the discretization
will be used only by material.f90 once crystallite is removed
2019-06-07 07:44:34 +02:00
Martin Diehl ab06fac379 line too long 2019-06-07 07:41:12 +02:00
Martin Diehl 1e368012b5 now providing all quantities required by plastic_nonlocal 2019-06-07 07:38:48 +02:00
Martin Diehl 2a35a78d93 phase out mesh_elem and theMesh 2019-06-07 07:38:48 +02:00
Martin Diehl d07cdf85de initialize correctly 2019-06-07 06:07:00 +02:00
Martin Diehl 9aeb1a9da1 PETSc-FEM solver needs to initialize discretization module 2019-06-07 00:20:35 +02:00
Martin Diehl 57547b5aa6 cleaned 2019-06-07 00:04:20 +02:00
Martin Diehl 87bc95e6fb IPvolume is only needed for nonlocal 2019-06-06 23:17:02 +02:00
Martin Diehl 9ab6147de8 bugfix: wrong number of IPs 2019-06-06 23:00:40 +02:00
Martin Diehl cfc1dcf04b mesh_elem and theMesh are deprecated 2019-06-06 22:49:17 +02:00
Martin Diehl 0720da29fb mesh_element is deprecated 2019-06-06 21:14:37 +02:00
Martin Diehl f0adcc665c discretization contains now all information to substitute mesh
only plastic_nonlocal needs extra information
2019-06-06 20:54:19 +02:00
Martin Diehl 14da4f8e43 easier to store positions than displacement 2019-06-06 18:28:10 +02:00
Martin Diehl e4c1102bdb names consistent with marc connectivity 2019-06-06 14:05:04 +02:00
Martin Diehl a4cce1bf61 new module "discretization"
should replace the part of mesh that is not only needed by
plastic_nonlocal
2019-06-06 13:59:16 +02:00
Martin Diehl 00189554cd correct style 2019-06-06 13:22:46 +02:00
Martin Diehl c0964dfd88 disable coordinate update for the moment 2019-06-06 13:13:22 +02:00
Martin Diehl 73d41ffaf7 less global variables 2019-06-06 13:08:10 +02:00
Martin Diehl 9e8bc7d9b1 better names 2019-06-06 11:08:58 +02:00
Martin Diehl eb8c41b3b5 cleaning 2019-06-06 10:43:08 +02:00
Martin Diehl 2f40f7a727 separating 2019-06-06 08:34:01 +02:00
Martin Diehl b127dcf44e separating mesh and nonlocal related geometry 2019-06-06 08:19:29 +02:00
Martin Diehl a3304db1ce no clutter 2019-06-06 08:16:36 +02:00
Martin Diehl 402502d6cd prepare cleaning 2019-06-06 08:16:07 +02:00
Martin Diehl 6a8cea90d5 simpler way to calculate IP neighborhood 2019-06-06 07:37:37 +02:00
Martin Diehl d13d6549af polishing 2019-06-05 20:29:14 +02:00
Martin Diehl 4b6ff59e49 make public variables visible 2019-06-05 20:18:19 +02:00
Martin Diehl 3990284b63 sorting face definitions of each cell 2019-06-05 18:57:03 +02:00
Martin Diehl df7d8b1043 not needed 2019-06-05 18:57:03 +02:00
Martin Diehl efac905fb2 less module wide variables 2019-06-05 18:57:03 +02:00
Martin Diehl 9b37c62e15 mesh_element is deprecated (meaningless name) 2019-06-05 10:05:59 +02:00
Martin Diehl 64ae894e5e leaner code 2019-06-05 10:02:55 +02:00
Martin Diehl 4b57722446 initial ideas for simplification of IP neighborhood determination
much easier for one type of element
2019-06-05 08:22:34 +02:00
Martin Diehl 3c46296941 cleaning 2019-06-05 00:36:25 +02:00
Martin Diehl 6bd380bcfd using (partly) the cell new cell node definition 2019-06-04 22:02:54 +02:00
Martin Diehl d0602513ac write out and calculate cell and element connectivity 2019-06-04 21:30:51 +02:00
Martin Diehl 04ee252be7 Merge branch 'development' into marc-mesh-simplification 2019-06-04 20:29:01 +02:00
Martin Diehl 96cb2a8fb8 mesh needs HDF5+results for connectivity 2019-06-04 20:22:53 +02:00
Martin Diehl f51599eda7 easier to read 2019-06-04 19:13:01 +02:00
Martin Diehl 7bfc25ba23 Merge branch 'development' into marc-mesh-simplification 2019-06-04 18:59:17 +02:00
Martin Diehl 951134d13f not needed 2019-06-04 12:06:16 +02:00
Martin Diehl d4392dc1bd one implicit none is enough 2019-05-30 23:58:59 +02:00
Martin Diehl ce9d6a5077 Merge branch 'development' into grid-mesh-cleanup 2019-05-30 23:52:37 +02:00
Martin Diehl 305c72584f Merge branch 'development' into test_PETSc_pointer 2019-05-30 17:31:51 +02:00
Martin Diehl 358272eb2e not needed, better readable without 2019-05-28 12:29:46 +02:00
Martin Diehl a5c6e4b17c do not clutter the code with use statements 2019-05-28 12:06:21 +02:00
Martin Diehl 0db4264265 cleaning 2019-05-28 09:28:15 +02:00
Martin Diehl 6283ffa024 Merge branch 'development' into cleaning-pInt-use 2019-05-28 09:19:43 +02:00
Martin Diehl b35465b591 gamma_slip_ID should be used to write result 2019-05-20 19:08:56 +02:00
Martin Diehl 2d366f8aca no clue where or when this was used 2019-05-18 23:20:22 +02:00
Martin Diehl 2ccfc9f6da simpler to use variables directly 2019-05-18 23:10:40 +02:00
Martin Diehl 93827b8809 not needed 2019-05-18 23:03:02 +02:00
Martin Diehl c4f07a9ad9 need to correct tensor order 2019-05-18 22:03:59 +02:00
Martin Diehl 1de0c7e652 wrong name 2019-05-18 22:03:59 +02:00
Martin Diehl 60c2a5fc06 loop (forall) over integration points wrong
this was done for each integration point, but this was not detected for
the forall loop
2019-05-18 22:03:59 +02:00
Martin Diehl 86205f5081 gfortran complaints about repeated dimension attribute
we need to decide whether we want to repeat the declaration of the
interface or not
2019-05-18 09:54:16 +02:00
Martin Diehl 34bcd38240 cleanup 2019-05-18 07:43:41 +02:00
Martin Diehl 2258bfb221 RGC as submodule
submodules inherit use-associated entities and implicit none/private
statements
2019-05-18 07:23:46 +02:00
Martin Diehl ed8af98d69 don't clutter with use statements 2019-05-18 06:54:45 +02:00
Martin Diehl 3db32102a3 algorithm to split elements into cells
- finds all shared nodes
- needs polishing
2019-05-17 13:22:52 +02:00
Martin Diehl c6b5d45944 cleaning 2019-05-17 12:43:42 +02:00
Martin Diehl 7ac0013271 more consistent private/public declarations 2019-05-17 05:24:36 +00:00
Martin Diehl 7b620e3ce9 [skip ci] consistent with rest of the module 2019-05-17 06:49:25 +02:00
Martin Diehl dce4775c17 removal of RGC out led to undefined variable 2019-05-17 06:36:30 +02:00
Martin Diehl 3df9a8d58c focus on the physics 2019-05-16 23:14:47 +02:00
Martin Diehl 01e3b646c2 don't clutter the code with useless stuff
we only need to be more strict about prefixing
functions/subroutines/variables to see in which module they reside
2019-05-16 22:56:48 +02:00
Martin Diehl 028bdcff22 less compiler complaints 2019-05-16 22:24:42 +02:00
Martin Diehl 6df563624d type needed for postResults 2019-05-16 21:57:20 +02:00
Martin Diehl f8b335a3a4 loop (forall) over integration points wrong
this was done for each integration point, but this was not detected for
the forall loop
2019-05-16 18:24:54 +02:00
Martin Diehl 39a75c2015 phasing out postResults
starting with RGC because it is rarely used and removing it here allows
to go ahead with the submodule structure for homogenization
2019-05-16 10:23:23 +02:00
Martin Diehl 789420c9d6 Merge branch 'no-pInt-implicitNone' into 'development'
No pInt and implicit none

See merge request damask/DAMASK!81
2019-05-15 21:40:13 +02:00
Franz Roters d29967d8b2 Merge remote-tracking branch 'remotes/origin/improve-Lp-guessing' into development 2019-05-15 08:10:46 +02:00
Martin Diehl 346c7c4a7f one implicit none is enough 2019-05-14 23:12:32 +02:00
Martin Diehl 51e19048f7 pInt not needed anymore 2019-05-14 22:52:33 +02:00
Philip Eisenlohr 9249b7f4af improved column alignment of indices such as (g,i,e) 2019-05-14 19:52:48 +02:00
Philip Eisenlohr f3d8b960fd included Li in list of protected quantities for fake cutback 2019-05-14 19:46:25 +02:00
Martin Diehl 0dbc6fb435 usage example 2019-05-14 11:52:28 +02:00
Martin Diehl 4bce087d3d separating functionality (stub only)
- mesh (initialization depends on type of solver) only provides
information about number of elements, IPs and writes out displacements
- new module (will get setter functions for solver specific
initialization) will provide information that is only used by the
nonlocal model
2019-05-14 11:42:00 +02:00
Martin Diehl 3be5c6a5bc Merge remote-tracking branch 'origin/development' into grid-mesh-cleanup 2019-05-14 11:13:09 +02:00
Martin Diehl a8b9b5d1c9 homogenizationAt array had wrong shape for MPI (too large) 2019-05-14 08:11:23 +02:00
Vitesh 387c45d0f4 Merge branch 'MiscImprovements' into 'development'
Misc improvements

See merge request damask/DAMASK!79
2019-05-14 07:32:57 +02:00
Martin Diehl 8dea95879c specific for nonlocal, can be calculated during post processing 2019-05-14 07:22:29 +02:00
Martin Diehl c9f1f8756d better name/not needed 2019-05-14 06:06:01 +02:00
Martin Diehl cac472c506 cleaning
more complex initialization will be used by FEM solvers only
2019-05-14 00:13:43 +02:00
Martin Diehl c8794af3bb better readable 2019-05-13 23:18:02 +02:00
Martin Diehl fb49acdb97 more explicit 2019-05-13 22:54:18 +02:00
Martin Diehl 4c148f1a07 not needed 2019-05-13 22:15:29 +02:00
Franz Roters 998789528c Merge branch 'HDF5-out-homog-2' into 'development'
Hdf5 out homog 2

See merge request damask/DAMASK!78
2019-05-13 17:34:59 +02:00
Franz Roters 89dbe1ad03 [skip ci] mismatch tensor is dimensionless 2019-05-13 17:33:45 +02:00
Martin Diehl df01a3ff36 only for internal use 2019-05-13 00:00:14 +02:00
Martin Diehl 344e6ca51a IP volume is trivial for spectral solver 2019-05-12 23:56:44 +02:00
Martin Diehl 6e96a57781 write all outputs to HDF5
not 100% sure about the units
2019-05-12 15:14:29 +02:00
Martin Diehl 7d5f5afe01 further cleaning 2019-05-12 13:11:30 +02:00
Martin Diehl f0f8be7840 not used 2019-05-12 10:05:40 +02:00
Martin Diehl 8286a289df try to directly allocate pointers 2019-05-12 09:52:56 +02:00
Martin Diehl 7f0008c4a3 not used at the moment 2019-05-12 09:37:59 +02:00
Martin Diehl b3f429165d use cascaded use statements 2019-05-11 12:10:23 +02:00