57fef8fa57
consistent naming
2019-10-14 10:08:35 +02:00
fae4546cfd
polishing
2019-10-14 09:37:31 +02:00
513b1906f6
bugfixes:
...
cell definition was not stored correctly due to wrong indexing
2019-10-14 08:23:21 +02:00
c41d8eb257
use new data structure to calculate cell node coordinates
2019-10-13 23:34:03 +02:00
2b65c888c4
avoid public variables
2019-10-13 22:16:42 +02:00
33e639426a
polishing
2019-10-13 21:45:08 +02:00
d03efade06
better calculate nodes later
2019-10-13 21:09:49 +02:00
369cae5332
no public variables
2019-10-13 20:52:49 +02:00
6456f9891b
avoid public variables
2019-10-13 20:34:20 +02:00
c2a8701940
further removal of deprecated stuff
2019-10-13 19:55:25 +02:00
4999aa4e14
more cleaning
2019-10-13 19:41:55 +02:00
e0cb1a87cd
cleaning
2019-10-13 19:22:57 +02:00
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
004abc2d4e
cell node definition needs to be stored
2019-10-13 13:28:04 +02:00
ed1d06d6f1
make functions independent of file state
2019-10-13 11:53:35 +02:00
9ea91b84e8
easier to read and without file access
2019-10-13 11:48:27 +02:00
680ed535d7
avoid file operations and line labels
2019-10-13 10:42:34 +02:00
d6b6096007
avoid global variables
2019-10-12 22:40:00 +02:00
7611513bb8
strange indentation
2019-10-12 22:18:55 +02:00
4c9bc326f6
better read file only once
2019-10-12 21:58:26 +02:00
e6d25bfdab
almost no shared functionality
2019-10-12 19:24:03 +02:00
d8d99f3694
geometry folder needs to be created earlier
2019-10-12 16:39:44 +02:00
fabab08936
did not run without HDF5 support
2019-10-12 16:25:59 +02:00
8cebf8a10d
needed
2019-10-12 15:50:10 +02:00
734e6ef15f
writing initial coordinates to DADF5
2019-10-12 15:03:26 +02:00
e85e13b380
[skip ci] only corrections to comments made
2019-10-11 15:21:29 +02:00
bf35589d66
DOI was pointint to the correction
2019-10-11 12:31:46 +02:00
b502300ffc
get labels of slip and twin systems
...
this info is for HDF5 output
2019-10-10 13:11:02 +02:00
1d51443607
polishing/unifying names
2019-10-10 12:26:45 +02:00
02d7ead3ab
better readable
2019-10-10 12:10:13 +02:00
cf0e279d93
labels were not used
...
better use automated labeling of all systems
2019-10-10 10:48:55 +02:00
a2a05158f2
not existing anymore
2019-10-09 01:32:19 +02:00
df3bb7c559
cleaning
2019-10-08 23:53:16 +02:00
90c03d94d1
further separation for clearer structure
2019-10-08 19:08:29 +02:00
b647245e39
general polishing
2019-10-08 18:52:34 +02:00
7d438d3868
not needed
2019-10-08 17:37:30 +02:00
040cd3e35d
no public variables
2019-10-08 17:26:02 +02:00
16fd608da6
more reasonable name
2019-10-08 17:12:53 +02:00
098f2903ea
not used anymore
2019-10-08 17:04:27 +02:00
5e79c360e9
no need for double definition
2019-10-08 10:03:03 +02:00
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
795939c989
tests for re-ordered systems + new PETSc 3.11
2019-10-07 20:23:17 +02:00
2d7293726c
more useful order
2019-10-07 18:04:29 +02:00
7f403ad50e
avoid global variables
2019-10-05 20:23:33 +02:00
18b8e71f69
polishing
2019-10-05 20:09:01 +02:00
1d35699884
ip volume is only needed by plastic nonlocal
2019-10-05 19:46:08 +02:00
076aa3f72b
not needed
2019-10-05 17:37:14 +02:00
019f0556e6
better have explicit arguments
2019-10-05 17:18:21 +02:00
0b29d08109
bump to DADF5 v0.3
...
contains displacements (for grid solver)
2019-10-03 19:02:17 +02:00
fd3f8e2cc7
fixed precision even if compiler flag is not set
2019-09-29 15:59:10 -07:00
d47dff9dd8
typo
2019-09-29 14:18:21 -07:00
ad75ebd973
polishing
2019-09-29 11:26:57 -07:00
56c0f30687
tried to send to much data
2019-09-29 10:34:55 -07:00
8e5fd7c5e8
nodal discplacements for MPI
...
needs improvement with respect to readability and placement of origin
2019-09-29 10:04:07 -07:00
e04b074f3c
easier to read
2019-09-28 18:32:17 -07:00
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
3206ee04bc
nodal displacements for grid solver
...
currently for non-MPI only
2019-09-27 20:38:02 -07:00
5ba6b6c244
name reflects planned functionality:
...
should update node and cell center coordinates
2019-09-27 15:02:36 -07:00
cc54139dae
no need for being compatible
2019-09-27 14:54:02 -07:00
fc6b603e3d
names reflect functionality
2019-09-27 14:48:51 -07:00
e311c913b8
avoid public variable without write protection
2019-09-27 14:44:28 -07:00
13c62b890b
module name should reflect file name
2019-09-27 14:34:34 -07:00
032b65fe65
not needed
2019-09-27 14:33:56 -07:00
8fd9341e39
not needed
2019-09-27 14:23:19 -07:00
114f21e8f7
setter for current nodal coordinates
2019-09-27 14:07:34 -07:00
2bb6f74de9
use new data structure
2019-09-27 14:07:03 -07:00
2e63affe47
[skip ci] better to read
2019-09-25 12:48:16 -07:00
9ebd91312a
avoid size(xxx) of unallocated xxx
2019-09-25 12:21:57 -07:00
fc090a1960
[skip ci] indentation only
2019-09-25 12:05:37 -07:00
116f43f401
[skip ci] indentation hick-up
2019-09-23 22:15:13 -07:00
ffcb7a0a24
aim of the calculation clearer
...
don't know if brackets are honored here
2019-09-23 09:31:14 -07:00
da041f43bc
floating point arithmetic refinement
...
Intel 18.4 could not detect 0.0
2019-09-23 09:29:38 -07:00
96811f77ca
not used
2019-09-23 06:50:25 -07:00
0620eae797
less code
2019-09-23 06:48:39 -07:00
611cc9bcae
preprocessor does not allow spaces
2019-09-23 06:48:20 -07:00
48e0a7ad97
no floating point comparison for equality
2019-09-23 06:35:02 -07:00
b8204015f5
wrong type (math_range returns integers)
2019-09-23 06:29:32 -07:00
02fef16b38
used only by MARC/Abaqus
2019-09-23 06:28:10 -07:00
78344c01ac
avoid floating point comparison
2019-09-23 05:37:36 -07:00
da15ff85f3
tests now operational
2019-09-23 00:11:45 -07:00
285dab4451
self consistent solutions
2019-09-22 23:53:56 -07:00
bbb2441cc2
preparing more tests
2019-09-22 22:08:19 -07:00
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
c1398e5fa4
more robust agains overflow + tests
2019-09-22 21:41:00 -07:00
40099fd581
typo
2019-09-22 17:46:37 -07:00
9fd65b0617
need to relax tolerance for case 3
2019-09-22 16:57:16 -07:00
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
c0210659b6
statUnit was not opened, stat file was written to STDERR
2019-09-22 15:56:37 -07:00
26bdcd64b9
this might resolve the occasional MPI restart test failuers
2019-09-22 15:34:05 -07:00
4ff292ba70
IEEE infinite causes problems with older GNU
2019-09-22 14:46:27 -07:00
171a93ca30
also small negative values cause problems
...
Logic differs from the original formulation now
2019-09-22 14:17:17 -07:00
6b5b0fae22
mixed up real and aimag part in quaternion
...
+ some tests
2019-09-22 12:10:39 -07:00
25c9bb1cd7
testing some corner cases
2019-09-22 11:29:34 -07:00
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
6e5b9ca665
unused variables
2019-09-22 08:54:59 -07:00
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
de632ec85c
better names
2019-09-22 07:22:24 -07:00
372536d57e
unit test for rotation class
2019-09-22 06:53:03 -07:00
5fa1ecb170
determinant calculations give slightly different results
2019-09-22 06:41:55 -07:00
30afaf2a95
bugfic: Blocksize parameter was too small
2019-09-21 23:45:54 -07:00
51bd67fa29
findloc is in gfortran 9.1
2019-09-21 23:03:53 -07:00
25d91c79af
larger block size seems favorable
2019-09-21 23:03:27 -07:00
8b908fb350
some more testing
2019-09-21 21:25:55 -07:00
a963f1d2c3
better explicit
2019-09-21 09:16:58 -07:00
f5caee8026
issue now clearer
2019-09-21 08:23:56 -07:00
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
8013dec45f
safer
2019-09-21 07:14:45 -07:00
7837a6dc01
not used ...
...
... and equivalentStress33 seemed wrong
... and equivalentStrain33 was confusing
2019-09-20 18:45:54 -07:00
a17046cfdf
full merger
2019-09-20 18:44:23 -07:00
a16af9a7ad
single source of truth
2019-09-20 18:33:12 -07:00
97127f9034
following standard: Output first
2019-09-20 18:28:46 -07:00
53283d5c01
using newer interface
2019-09-20 18:20:33 -07:00
09c1150e3c
more error checking
2019-09-20 18:16:08 -07:00
c1d1c83088
better check input data
2019-09-20 17:49:55 -07:00
a8b72c3f53
even better to read
2019-09-20 17:42:55 -07:00
7fe3e3b406
easier to read
2019-09-20 17:38:57 -07:00
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
ad83c8541d
same names as in python
2019-09-20 17:18:09 -07:00
7e6265b128
make use of consistency checks
2019-09-20 16:52:55 -07:00
ef4204da14
Merge branch 'MiscImprovements' of magit1.mpie.de:/damask/DAMASK into MiscImprovements
2019-09-20 16:48:50 -07:00
6c0e92d5c1
functionality to rotate 4-tensor
2019-09-20 16:47:44 -07:00
4dfb1f6450
next try for MARC 2019
2019-09-21 01:07:04 +02:00
93c8aa8f75
bugfix: used uninitialized vector
2019-09-21 00:08:14 +02:00
7ff106a1fc
better readable
2019-09-20 08:45:23 -07:00
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
0b6620bfb7
Merge branch 'development' into MiscImprovements
...
F***ing commits to development!
2019-09-20 07:40:52 -07:00
42fba28fa1
getting rid of conversions with unclear behavior
2019-09-20 07:37:58 -07:00
76eaa9855f
correct type (pReal)
2019-09-20 06:57:39 -07:00
47fe5b9c15
Merge branch 'MiscImprovements' of magit1.mpie.de:/damask/DAMASK into MiscImprovements
2019-09-20 06:54:23 -07:00
052ee10fcb
sanity checks as in python class
2019-09-20 06:53:49 -07:00
e8ed25d361
messages were not used anymore
2019-09-20 06:40:21 -07:00
23dba41a09
absolutely not needed
...
the solvers report when they are initialized
2019-09-20 05:41:12 -07:00
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
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
27732b1c0d
better use rotation class functionality
2019-09-19 23:32:19 -07:00
a70779965c
some helper functions for further transition
2019-09-19 22:50:30 -07:00
01561a2bae
polishing
2019-09-19 22:07:02 -07:00
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
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
a94c104c75
using texture class
2019-09-19 19:14:37 -07:00
5d0a67e5dc
texture class replaces manual conversions
2019-09-19 18:25:51 -07:00
e48059d6f1
correct name
2019-09-19 16:56:43 -07:00
08d2cdcb25
forall is deprecated in Fortran 2018
2019-09-19 14:24:13 -07:00
b41d6182a5
safe use of optional argument
2019-09-19 14:20:02 -07:00
f6c616c84b
consistent orientation/quaternion handling is in own submodule
2019-09-19 13:59:18 -07:00
7fa979f800
removed unused function
...
were based on/used for deprecated orientation handling
2019-09-19 13:51:37 -07:00
be0d961954
cleaning
2019-09-19 13:40:03 -07:00
e82fdbcdfa
use more appropriate name
2019-09-19 13:39:22 -07:00
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
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