Sharan Roongta
5c221e16e1
solver should not solve for field if homogenization description is absent
2022-12-29 19:08:05 +00:00
Martin Diehl
a2a4054a37
give explanation of unexpected code
2022-12-25 16:36:01 +01:00
Martin Diehl
38e6f4b49b
Merge remote-tracking branch 'origin/select-mu' into development
2022-12-20 00:47:24 +01:00
Martin Diehl
4f69c7630d
competing damage models are not implemented
...
while there might be the chance that we need this, we better focus on
today's capabilities and don't make the material.yaml syntax more
complicated in anticipation of potential changes
2022-12-18 09:34:25 +01:00
Martin Diehl
3a643d04c4
only valid/needed for GNU
2022-12-17 16:13:35 +01:00
Martin Diehl
548857c6a6
not needed
2022-12-17 16:10:25 +01:00
Martin Diehl
5f8ef4ac71
Merge branch 'grid-FEM-simplifications' into 'development'
...
style polishing
See merge request damask/DAMASK!686
2022-12-16 12:32:21 +00:00
Franz Roters
9bacd2ed5e
Merge branch '233-unit-testing-for-yaml' into 'development'
...
a few more tests
Closes #233 and #239
See merge request damask/DAMASK!679
2022-12-16 08:40:31 +00:00
Yi Hu
0c989ef03e
add short text for better understanding in CLI help for restart
2022-12-12 16:40:42 +01:00
Martin Diehl
ede04c0264
style polishing
2022-12-11 18:16:13 +01:00
Martin Diehl
e6c2e73e03
Merge remote-tracking branch 'origin/development' into 231-no-petscscalar-and-_range
2022-12-10 14:54:02 +01:00
Philip Eisenlohr
265572ffde
Merge branch 'Marc2022.3' into 'development'
...
Marc2022.3
See merge request damask/DAMASK!670
2022-12-09 20:04:36 +00:00
Philip Eisenlohr
4830ea19c9
bug fix;more elaborate self test
2022-12-09 10:00:00 -05:00
Martin Diehl
a9cb81b1cb
functions are meant for proper files (ending with EOL)
2022-12-09 06:48:38 +01:00
Martin Diehl
a3128d4021
avoid failing tests
2022-12-09 06:48:29 +01:00
Martin Diehl
cca5d6d495
impoved naming
2022-12-09 06:48:16 +01:00
Martin Diehl
7b986f6f77
using new table functionality
2022-12-07 21:55:20 +01:00
Martin Diehl
06f8697bd1
manage tabulated data with linear interpolation in-between points
2022-12-07 21:44:44 +01:00
Martin Diehl
aaae8a701b
Fortran style adjustments
2022-12-07 17:29:03 +00:00
Daniel Otto de Mentock
e8aeb4435d
polishing
2022-12-07 14:33:33 +01:00
Martin Diehl
b6610f4499
a few more tests
2022-12-07 13:03:42 +01:00
Sharan Roongta
dc54f5935c
lattice is an optional parameter;
...
argument order changed to reflect that
2022-12-07 12:53:22 +01:00
Philip Eisenlohr
65cb9d5997
Merge branch 'development' into 228-unit-tests-for-spectral-functionality
2022-12-05 11:07:43 -05:00
Philip Eisenlohr
71a75f1cc2
more informative error stop messages
2022-12-05 11:01:06 -05:00
Yi Hu
b9ee401ff5
add damage restart functionality and associated tests
2022-12-05 10:52:59 +00:00
Daniel Otto de Mentock
7c6c46c2db
return value of fftw function is defined as cdouble
2022-12-05 10:39:42 +01:00
Daniel Otto de Mentock
c2e78158c8
petsc macros can be omitted with use of preal
2022-12-05 10:38:36 +01:00
Martin Diehl
f61273c062
standard style
2022-12-02 20:41:47 +01:00
Martin Diehl
411c86b5ef
following style guide
2022-12-01 19:52:53 +01:00
Martin Diehl
8493170419
testing equivalence of different code branches for imposed cubic
...
symmetry
2022-12-01 19:17:11 +01:00
Daniel Otto de Mentock
a2f898a94c
correcting function return type, indentation
2022-12-01 17:27:30 +01:00
Daniel Otto de Mentock
b96576ce93
standardizing double definition across modules
2022-12-01 17:27:30 +01:00
Daniel Otto de Mentock
8fd4a0c084
petscscalar and pReal need to be equivalent
2022-12-01 17:26:25 +01:00
Sharan Roongta
07bbbdb380
avoid fixed length character arrays
2022-11-30 13:33:04 +01:00
Sharan Roongta
71fe8edd4c
Merge remote-tracking branch 'origin/development' into select-mu
2022-11-30 11:11:34 +01:00
Philip Eisenlohr
3a3be7cdc8
have isostrain/stress replace voigt/reuss
2022-11-30 11:09:51 +01:00
Martin Diehl
d364808c82
extending test to MPI parallel runs
2022-11-29 18:12:38 +01:00
Sharan Roongta
599e4472e8
Merge remote-tracking branch 'origin/development' into select-mu
2022-11-29 12:12:02 +01:00
Sharan Roongta
8b5fa37428
calculation of shear modulus for cubic crystals can be simplifieid, tests added for different crystal symmetries
2022-11-28 23:28:36 +01:00
Martin Diehl
0508fa9ec2
flatten solver data layout
...
avoid problem with chunking/compression (only relevant for large
simulations when this feature is used).
In addition, use a unified variable naming: no "_current" for
thermal and damage to follow example of mech.
2022-11-27 17:07:25 +01:00
Martin Diehl
39157b75b7
plane waves have known solutions
2022-11-27 16:53:53 +01:00
Martin Diehl
6be1d43dc6
gradient/curl/div of constant fields are zero
2022-11-26 10:37:54 +01:00
Philip Eisenlohr
8993b5caac
Merge branch '232-residualstiffness-residualphi' into 'development'
...
better naming
Closes #232
See merge request damask/DAMASK!666
2022-11-25 15:12:54 +00:00
Franz Roters
36f050a085
Merge branch 'polish-YAML-parsing' into 'development'
...
Shorter YAML code
See merge request damask/DAMASK!663
2022-11-25 07:55:31 +00:00
Philip Eisenlohr
af24d47b9a
Shorter YAML code
2022-11-25 07:55:31 +00:00
Sharan Roongta
99673bb865
Merge branch '162-error-stress-bc-grid' into 'development'
...
avoid confusion during reporting
Closes #162
See merge request damask/DAMASK!662
2022-11-24 12:50:39 +00:00
Sharan Roongta
9d71ffa3ee
better naming
2022-11-24 11:23:10 +01:00
Martin Diehl
deb8ebeb5b
avoid confusion during reporting
...
polarization needs to ensure BC for F and P
2022-11-24 09:47:48 +01:00
Martin Diehl
19fbfb0968
Merge branch '230-polynomial-get' into 'development'
...
removed superfluous asDict specification for polynomials arguments
Closes #230
See merge request damask/DAMASK!665
2022-11-24 06:58:17 +00:00
Franz Roters
6a701db211
support Marc 2022.3
2022-11-23 17:20:35 +01:00
Daniel Otto de Mentock
b2fcd1ec1b
Merge branch 'grid-spectral-simplifications' into 'development'
...
FFTW-related changes
Closes #206 and #216
See merge request damask/DAMASK!661
2022-11-22 18:24:03 +00:00
Daniel Otto de Mentock
3fb0b5d099
removed superfluous asDict specification for polynomials arguments
2022-11-22 14:20:19 +01:00
Philip Eisenlohr
762a5de6c9
Merge branch '205-name-for-coefficient-of-thermal-expansion' into 'development'
...
commonly used variable name
Closes #205
See merge request damask/DAMASK!660
2022-11-20 23:56:59 +00:00
Martin Diehl
cad4cbc5d2
circument bug in gfortran
...
associate to strided pointer seems to cause trouble
2022-11-20 23:35:54 +01:00
Martin Diehl
2173c9e499
undo weighting needed for restart
2022-11-20 13:36:03 +01:00
Martin Diehl
34fb7e921a
use self-documenting code
...
the comments did not anything that was not clear from the
variable/function names
2022-11-20 12:58:50 +01:00
Martin Diehl
ef435ee7d1
commonly used variable name
2022-11-20 09:40:15 +01:00
Martin Diehl
9b80ff623b
faster operation
...
explicit weighting not needed
2022-11-19 13:39:43 +01:00
Martin Diehl
eb226d237f
better readable
2022-11-19 13:27:32 +01:00
Martin Diehl
6db3b72c89
avoid global variables
...
extra memory (one vector field) required
2022-11-19 13:05:12 +01:00
Martin Diehl
f22ff8fa25
avoid state-changing functions
...
requires explicit padding, i.e. a little bit of code duplication
2022-11-19 12:36:56 +01:00
Martin Diehl
ad3c18b29b
avoid use of global variables
2022-11-19 12:24:16 +01:00
Martin Diehl
7de3da50e7
include weighting operation into Gamma operator
...
avoids point-wise multiplication.
2022-11-19 12:05:31 +01:00
Martin Diehl
cb6df618fe
avoid global variables
2022-11-19 11:47:44 +01:00
Martin Diehl
18b8923929
centralize FFTs
2022-11-19 09:37:26 +01:00
Martin Diehl
cd2a21509a
avoid depenencies on global state
...
requires on extra forward FFT pre iteration for basic scheme
2022-11-19 09:01:57 +01:00
Martin Diehl
20da5663c0
simplified, avoid intermediate writes
2022-11-19 08:14:38 +01:00
Martin Diehl
ce98cfdd5e
padding is handled centrally in the FFT forward routines
2022-11-19 07:58:45 +01:00
Franz Roters
bdd85a414c
support for MSC.Marc 2022.2
2022-11-17 07:12:27 +00:00
Sharan Roongta
1264d8dfc1
allow selection of modulus
2022-11-11 19:36:55 +01:00
Philip Eisenlohr
46e2bbf80c
correct unit for quaternion output O
2022-11-08 13:10:37 -05:00
Philip Eisenlohr
0ab9adcb5e
fix Kichhoff typos
2022-11-02 20:23:56 +00:00
Daniel Otto de Mentock
a1b91e5fcf
Merge branch '202_MPI-random-seed' into 'development'
...
avoid repeated random sequences on different processes
Closes #202
See merge request damask/DAMASK!639
2022-10-31 11:29:50 +00:00
Philip Eisenlohr
c507e2d3b6
avoid potenttial out-of-bounds memory access
2022-10-27 15:56:59 -04:00
Philip Eisenlohr
5c688345ed
more verbose and specific messaging in self-test and errors
2022-10-27 15:39:48 -04:00
Martin Diehl
ae3b049d30
avoid repeated random sequences on different processes
...
we don't use random numbers a lot and there are no reported problems
yet.
Still, this is safer.
2022-10-27 09:21:37 +02:00
Franz Roters
9149e760f6
Merge branch 'dislotwin-parameters' into 'development'
...
example files for TWIP/TRIP
See merge request damask/DAMASK!636
2022-10-26 06:59:59 +00:00
Martin Diehl
28ea09050d
polishing
2022-10-25 23:18:22 +02:00
Martin Diehl
df5487e1a9
Re-written YAML types
...
Strict typing for YAML
New access pattern requires to specify the expected type, i.e. 'scalar', 'list', or 'dict'. This ensures that the node offers the expected functionality instead of polluting 'tNode' with dummy functions which throw error messages if not overwritten.
The restructuring of the code allows to hierarchically construct methods without much code duplication.
Some aspects of the error messaging system have been improved.
2022-10-25 16:09:36 +00:00
Martin Diehl
7831aa5ce8
Merge remote-tracking branch 'origin/development' into dislotwin-parameters
2022-10-23 12:31:30 +02:00
Martin Diehl
bf0113a737
avoid HDF5 error in case of empty dataset
2022-10-20 01:09:03 +02:00
Franz Roters
027d77e9f7
Merge branch 'long-PETSc-lines' into 'development'
...
length of macro seems to depend on PETSc location
See merge request damask/DAMASK!632
2022-10-19 10:32:15 +00:00
Martin Diehl
d315aac163
use sourced allocation
2022-10-15 21:54:03 +02:00
Daniel Otto de Mentock
592936f21f
missing allocation statement was causing gnu and intel debug compiler to fail
2022-10-14 11:44:42 +02:00
Martin Diehl
8937967067
length of macro seems to depend on PETSc location
2022-10-13 13:08:13 +02:00
Martin Diehl
2e24ce4770
Merge branch 'phenopowerlaw_fix_clean' into 'development'
...
asymptotic hardening respects own (not other) saturation
See merge request damask/DAMASK!631
2022-10-13 07:54:47 +00:00
Sharan Roongta
759c95471c
asymptotic hardening respects own (not other) saturation
...
from @p.eisenlohr
2022-10-07 19:00:09 +02:00
Martin Diehl
0ca4d42678
PETSc 3.18.0 compatibility
...
CHKERR macros are now longer, should be replaced with PetscCall in the
future
2022-10-02 12:48:54 +02:00
Sharan Roongta
dd3b385ae5
correct dotT passed
2022-09-29 15:04:57 +02:00
Martin Diehl
0c83245d4b
example files for TWIP/TRIP
...
I'm not able to reproduce the results from https://doi.org/10.1016/j.actamat.2016.07.032 ,
but these parameters give results that are qualitatively ok
2022-09-22 16:39:23 +02:00
Yi Hu
bb65d58214
add read-in init phi, correct write-out damage result
2022-09-21 08:50:00 +02:00
Martin Diehl
784cd3405e
clean termination in case of MPI runs (no deadlock)
2022-09-10 23:53:59 +02:00
Martin Diehl
1add486115
don't rely on PETSc for MPI init
2022-09-10 23:37:39 +02:00
Martin Diehl
b11ca71786
no need to pass determinant if not needed
2022-09-10 10:31:18 +02:00
Martin Diehl
043415c4bb
unused and untested
2022-08-31 09:06:11 +00:00
Franz Roters
8c097b08d5
missing declaration
2022-08-29 16:08:24 +02:00
Martin Diehl
0b9597e74e
better error message/simpler code
2022-08-16 18:26:50 +02:00
Martin Diehl
fbc6a1ebbf
following naming convention
...
the variable is NOT related to the base64 module
2022-08-16 17:10:49 +02:00
Martin Diehl
237bda5ccf
ensuring matching domain decomposition for all transforms
2022-07-29 07:29:20 +02:00
Martin Diehl
aee8ecd43d
Merge remote-tracking branch 'origin/development' into prepare-transposed-FFTW
2022-07-29 07:27:12 +02:00
Daniel Otto de Mentock
27a8610d92
loops over tensors in fourier space need to correspond to transposed structure
2022-07-22 14:58:30 +02:00
Daniel Otto de Mentock
b1257d6b54
correcting wrong access to scalarfield_fourier
2022-07-19 14:47:05 +02:00
Daniel Otto de Mentock
dda157aa5a
accesses to fourier space tensors now need to correspond to transposed structure
2022-07-13 14:10:13 +02:00
Sharan Roongta
bb63048a0f
Merge branch 'implicit-none-external' into 'development'
...
implicit none cover external
See merge request damask/DAMASK!610
2022-07-08 11:43:19 +00:00
Martin Diehl
ec0c486a2c
transition to transposed storage
2022-07-06 18:01:39 +02:00
Sharan
c3ba8b6588
dot state is 0 in isibrittle
2022-07-02 18:59:21 +02:00
Martin Diehl
771ccb4485
testing average behavior
2022-07-01 14:33:10 +02:00
Martin Diehl
fc76f9f60f
preparing for use of transposed data in Fourier space
2022-06-30 22:23:27 +02:00
Martin Diehl
44ecedc7b0
unified names
2022-06-30 22:01:35 +02:00
Martin Diehl
af2eb3e51d
systematic names
2022-06-30 21:59:21 +02:00
Martin Diehl
ef8f0becd4
only used within module
2022-06-30 21:45:49 +02:00
Martin Diehl
64fad03b97
explicit casting
2022-06-27 23:39:54 +02:00
Martin Diehl
60e097a04e
something is wrong with interfaces for 64 bit
2022-06-27 22:35:29 +02:00
Martin Diehl
de1633f420
limit access
2022-06-27 21:51:44 +02:00
Martin Diehl
61dc14e0b9
Merge remote-tracking branch 'origin/development' into implicit-none-external
2022-06-27 15:13:20 +02:00
Daniel Otto de Mentock
de89d0fe38
Merge branch 'Marc-Precision-handling' into 'development'
...
Marc precision handling
See merge request damask/DAMASK!607
2022-06-27 08:37:41 +00:00
Martin Diehl
3b57934d6e
Marc precision handling
2022-06-27 08:37:41 +00:00
Martin Diehl
445a091fec
easier to understand
2022-06-24 07:36:25 +02:00
Martin Diehl
2f1904efec
only MPI_f08 is standard conforming
2022-06-21 23:11:22 +02:00
Martin Diehl
b8c3d75700
[skip sc] enforce interfaces (quick fix: declare as external)
2022-06-21 22:59:01 +02:00
Martin Diehl
074cdf5dff
following default style
2022-06-15 20:15:35 +02:00
Martin Diehl
0b8473d7ec
Merge remote-tracking branch 'origin/development' into polishing
2022-06-15 20:13:39 +02:00
Martin Diehl
703798b080
test needs update after change of parameter names for sb
2022-06-15 08:31:25 +02:00
Martin Diehl
576c79a619
following DAMASK paper
2022-06-13 14:08:45 +02:00
Martin Diehl
0d63284c01
increase test coverage
2022-06-12 16:16:25 +02:00
Martin Diehl
f60c950a7c
numerically better normalization
...
slightly more expensive, but guarantees a det(R) = 1.0
2022-06-12 10:25:14 +02:00
Martin Diehl
9f4e354b12
polishing
2022-06-11 23:12:30 +02:00
Martin Diehl
9e0a0ee166
not needed
2022-06-11 23:04:21 +02:00
Martin Diehl
f8833043b3
consistent capitalization
2022-06-08 23:28:41 +02:00
Martin Diehl
78838c2f75
consistent variants including space
2022-06-08 23:27:09 +02:00
Sharan Roongta
fa974574af
Merge branch 'consistent-damage-parameter-names' into 'development'
...
Consistent damage parameter names
See merge request damask/DAMASK!593
2022-06-04 11:27:28 +00:00
Martin Diehl
1b5194288b
polished tests, consistent variable name
2022-06-04 07:26:45 +02:00
Franz Roters
5155a3f958
Merge branch 'MPI-FFTW-fix' into 'development'
...
bugfix: prevent segmentation fault
Closes #192
See merge request damask/DAMASK!595
2022-06-02 16:13:24 +00:00
Martin Diehl
b8530bbcc9
Merge branch 'implicit-none-in-interface' into 'development'
...
implicit none does not propagate
See merge request damask/DAMASK!596
2022-05-31 12:06:03 +00:00
Philip Eisenlohr
3d10d29254
Merge branch 'warning-error-cleanup' into 'development'
...
more flexible error/warning handling
See merge request damask/DAMASK!594
2022-05-28 16:56:53 +00:00
Martin Diehl
d858d753e3
implicit none does not propagate
...
each subroutine/function is independent and not part of a scope
2022-05-27 22:38:47 +02:00
Martin Diehl
6fa87b4038
not needed anymore
2022-05-27 20:58:18 +02:00
Martin Diehl
2bfcc4d0b8
standardized reporting
2022-05-27 20:53:16 +02:00
Martin Diehl
b56ded62d9
encapsulate data, prefix only public functions
2022-05-27 18:01:40 +02:00
Philip Eisenlohr
f85e8a3ff4
more precise warning for fftw_plan_mode
2022-05-27 12:00:53 -04:00
Philip Eisenlohr
75bd643258
more precise warning for fftw_plan_mode
2022-05-27 11:58:10 -04:00
Philip Eisenlohr
d66c777d6e
introduced "IO_panel" to write statements to STDERR
2022-05-27 11:47:14 -04:00
Martin Diehl
dc59beb59c
following advince from FFTW3 manual
...
silences a lot of gfortran warnings about unused variables
2022-05-27 09:54:00 +02:00
Martin Diehl
064b9c5cc4
bugfix: prevent segmentation fault
...
need to rely on FFTWs calculation for amount of storage needed
2022-05-27 09:53:04 +02:00
Martin Diehl
6c6b3e64b3
more flexible reporting
2022-05-27 09:38:47 +02:00
Martin Diehl
cfa2be44e9
internal errors should trigger error stop
2022-05-27 08:48:42 +02:00
Martin Diehl
f7d23ad151
internal variable, no prefix needed
2022-05-27 08:40:01 +02:00
Martin Diehl
f31dd8cbe8
unknown error/warning numbers are internal errors
2022-05-27 08:34:52 +02:00
Martin Diehl
f90523eb07
more flexible reporting
2022-05-27 08:33:50 +02:00
Martin Diehl
5f0ae4fe7a
user errors are catched earlier
...
internal errors (essentially programming faults) should stop with 'error
stop'
2022-05-27 06:41:55 +02:00
Martin Diehl
79fad5ca19
IP was only used for an argument that is NOT the IP ID
2022-05-27 06:41:15 +02:00
Martin Diehl
1d4c476cd4
collect errors for more helpful message
2022-05-27 06:30:25 +02:00
Martin Diehl
d5db083fec
more convenient to see all invalid parameters
2022-05-27 00:25:25 +02:00
Martin Diehl
7a23699aa4
not needed
...
error occurs in <phase ... init>
2022-05-27 00:24:40 +02:00
Martin Diehl
724c4fcf5d
not used
...
ip,el,g is anyways not flexible enough. Remove unused arguments before
developing a more flexible approach
2022-05-27 00:23:51 +02:00
Martin Diehl
19b78cb647
easier to read
2022-05-26 23:29:06 +02:00
Martin Diehl
82cad00f81
simplified interface
2022-05-26 19:07:23 +02:00
Martin Diehl
a514d30060
standardized names
2022-05-26 19:03:29 +02:00
Martin Diehl
77f586b1d7
Merge remote-tracking branch 'origin/development' into consistent-damage-parameter-names
2022-05-22 23:35:42 +02:00
Martin Diehl
f42bb5d175
mitigate rounding errors
2022-05-20 06:43:32 +02:00
Martin Diehl
491e2ec0b2
avoid negative zero when not needed
2022-05-20 06:30:07 +02:00
Martin Diehl
6b6c2548c5
Merge branch 'development' into initial-V_e
2022-05-19 17:03:09 +02:00
Martin Diehl
41a732f62d
assumed rank solution gives wrong results #194
2022-05-19 16:38:37 +02:00
Martin Diehl
556d9d840e
specifying V_e is more natural than F_i
2022-05-19 01:15:17 +02:00
Daniel Otto de Mentock
85fa92ee1f
Merge branch 'use-openMP-module' into 'development'
...
using the module is the recommended approach
See merge request damask/DAMASK!582
2022-05-17 12:57:15 +00:00
Daniel Otto de Mentock
5f3203cecf
Merge branch 'element-cleanup' into 'development'
...
only relevant for Marc
See merge request damask/DAMASK!583
2022-05-17 12:56:50 +00:00
Martin Diehl
c0bb576117
Merge remote-tracking branch 'origin/development' into sigint-to-quit
2022-05-13 11:58:18 +02:00
Martin Diehl
3f85027b9e
better use SIGINT for actions triggered by the user
...
SIGTERM is send by MPI if one process fails, catching it results in
deadlocks
2022-05-13 11:58:03 +02:00
Martin Diehl
6b17787be1
only relevant for Marc
2022-05-13 10:02:02 +02:00
Martin Diehl
05d3a92944
using the module is the recommended approach
2022-05-13 08:43:24 +02:00
Martin Diehl
6f7e8491bc
Merge branch 'Marc2022.1' into 'development'
...
Marc2022.1
See merge request damask/DAMASK!579
2022-05-12 20:38:25 +00:00
Martin Diehl
0b6ead1a48
avoid console-spam during initialization
2022-05-12 15:36:12 +02:00
Martin Diehl
53796fce7a
trustworthy reference
2022-05-08 20:10:12 +02:00
Martin Diehl
b376b10b7a
classic Intel gives FPE
2022-05-08 17:47:20 +02:00
Martin Diehl
10d8a63cb6
not used
...
and current code is not good (not using Horner scheme)
2022-05-08 17:18:15 +02:00
Martin Diehl
d713026f7e
fast evaluation for (most common) case of constant
2022-05-08 16:49:30 +02:00
Martin Diehl
b2052cb3c7
less strict tolerances
...
values can be in the order of 1e5, so 1e-6 precision is not too bad
2022-05-08 16:41:19 +02:00
Martin Diehl
8f9fbb30e5
use fused multiply-add where possible
...
only possible for Intel compiler
2022-05-08 15:48:13 +02:00
Martin Diehl
5b8e5591ed
Merge remote-tracking branch 'origin/development' into order4-polynomial
2022-05-08 14:35:48 +02:00
Martin Diehl
240426402c
using (faster) Horner evaluation
...
https://rosettacode.org/wiki/Horner%27s_rule_for_polynomial_evaluation
2022-05-08 13:32:14 +02:00
Martin Diehl
72c29f744c
better tests
2022-05-08 12:49:29 +02:00
Martin Diehl
7d18ed307d
hickup in documentation
2022-05-08 09:30:26 +02:00
Martin Diehl
2741fbd977
whitespace adjustments
...
- 1 empty line between dummy arguments/return value
- 2 empty lines between variable definition and actual code
2022-05-08 09:27:21 +02:00
Martin Diehl
ec184cb8fe
need to relax absolute tolerance
...
absolute values for quartic become quite high
2022-05-08 08:30:58 +02:00
Martin Diehl
9605a5c2de
polynomial expansion up to order 4
2022-05-07 23:04:06 +02:00
Martin Diehl
71e4fa222c
generic code for variable order
2022-05-07 22:53:31 +02:00
Martin Diehl
70b9943920
allow to specify only quadratic term in Dict
2022-05-07 22:47:13 +02:00
Martin Diehl
7cf3bcb9c9
easier to read
2022-05-07 22:01:47 +02:00
Franz Roters
7eddfab994
Merge branch 'development' into Marc2022.1
2022-05-06 18:18:55 +02:00
Franz Roters
da595d46db
add support for Marc2022.1
2022-05-04 14:56:50 +02:00
Franz Roters
6236ad52d1
consistent naming
2022-05-03 13:00:28 +02:00
Franz Roters
fc4619189f
unified capitalization
2022-05-03 12:55:27 +02:00
Martin Diehl
be39865ff7
more systematic naming
2022-05-02 09:52:15 +02:00
Martin Diehl
e29a732d9f
improved naming
2022-04-29 14:58:12 +02:00
Martin Diehl
730cda2020
more explicit name
2022-04-29 14:50:27 +02:00
Martin Diehl
bb83d20fe9
Merge branch 'development' into structure-improvements
2022-04-27 05:55:19 +02:00
Philip Eisenlohr
dece12a1a6
remove unused CLI module inclusion
2022-04-26 12:19:13 -04:00
Martin Diehl
7a4097d52b
Marc code belongs to Marc subfolder
2022-04-24 19:03:22 +02:00
Martin Diehl
d41d03015a
better matching name
2022-04-24 17:38:59 +02:00
Martin Diehl
26ab0365be
only used by the grid solver
2022-04-24 17:30:37 +02:00
Martin Diehl
91b71fdff8
systematic naming scheme
2022-04-24 04:45:41 +02:00
Martin Diehl
b80b406ad5
more specific name
...
'interface' can be an interface to anything, 'CLI' is an established
abbreviation for 'command line interface'
2022-04-23 16:09:31 +02:00
Martin Diehl
0e65d44bdc
separating functionality
...
signal handling and CLI handling are not really related
2022-04-23 14:46:26 +02:00
Martin Diehl
690b2e9c21
tolerances were to strict for certain operations
2022-04-22 07:18:53 +02:00
Martin Diehl
745f5348cd
running new tests
2022-04-22 00:01:54 +02:00
Martin Diehl
df3f4d9480
testing forward/backward FFT
2022-04-20 07:02:59 +02:00
Martin Diehl
dff78154a0
Merge branch 'fast-list-append' into 'development'
...
Performance improvements when storing/retrieving data from YAML
Closes #180
See merge request damask/DAMASK!561
2022-04-20 03:31:10 +00:00
Philip Eisenlohr
4a93dbec11
more descriptive variable names
2022-04-19 13:11:40 -04:00
Martin Diehl
b796ccb04a
DAMASK requires gfortran >= 9
2022-04-18 13:18:14 +02:00
Martin Diehl
808ef139ae
avoid code duplication by using assumed rank "(..)"
...
- lack of modern Fortran interface for HDF5 still requires branching to
call the same code
- not sure how to handle the read function (assumed rank and intent(out)
) does not work together
2022-04-18 13:16:45 +02:00
Martin Diehl
954a336d92
Fortran side does not support tags (i.e. 'type hints')
2022-04-16 16:24:29 +02:00
Martin Diehl
3cc3229792
string new line which is added by libfyaml
2022-04-16 16:19:33 +02:00
Martin Diehl
f9c43e9db7
Merge remote-tracking branch 'origin/development' into consistent-damage-parameter-names
2022-04-15 10:32:36 +02:00
Martin Diehl
dbf5ee84cb
better readable
2022-04-14 21:21:32 +02:00
Martin Diehl
b56176d670
all YAML related initialization is constant (linear in number of points)
2022-04-14 16:17:17 +02:00
Martin Diehl
3309360e4b
avoit out of bounds access
2022-04-14 07:20:16 +02:00
Martin Diehl
563d566a3f
made two loops faster
...
the most annoying one is still slow.
2022-04-14 06:39:19 +02:00
Martin Diehl
ca0df3389a
avoid long pointer transversal
2022-04-14 00:06:54 +02:00
Martin Diehl
00671f943b
easier to understand
2022-04-13 23:45:14 +02:00
Martin Diehl
c806885cb5
include libfyaml headers from non-standard locations
...
the CMake manual promises more than it holds.
Also adding some diagnostics+fixes for zlib, we still assume that it
exists (true on most systems, HDF5 also requires it normally)
see also https://stackoverflow.com/questions/21593
2022-04-13 07:58:31 +02:00
Martin Diehl
723252ef15
libfyaml backend
...
currently it simply converts the whole file content to flow mode.
The nice thing is: It can convert EVERYTHING to flow mode. libfyaml is
the only library that passes the whole YAML test suite
2022-04-12 23:24:07 +02:00
Martin Diehl
0376de4a11
not needed
2022-04-04 08:17:06 +02:00
Martin Diehl
34cc66f1bf
use old interface for previous PETSc versions
2022-04-04 08:14:48 +02:00
Martin Diehl
8d44c55141
support for PETSc 3.17.0
...
DCHKERRQ has been replaced by PetscCall
2022-04-03 17:56:17 +02:00
Martin Diehl
fb633798af
following paper
2022-04-01 19:47:40 +02:00
Martin Diehl
945b10e3e6
avoid segmentation fault (null is returned if not scalar)
2022-03-20 00:00:52 +01:00
Martin Diehl
8f9ba9d6e4
test with initial conditions in grid file
2022-03-10 18:51:27 +01:00
Martin Diehl
e8383cec69
Merge remote-tracking branch 'origin/development' into initial-temp
2022-03-10 08:52:05 +01:00
Martin Diehl
790ca57ea0
specify initial temperature per point
2022-03-09 21:29:40 +01:00
Martin Diehl
da5ba82299
initial condition can be specified per point/cell
2022-03-09 20:40:03 +01:00
Martin Diehl
c2453c56f1
Merge remote-tracking branch 'origin/development' into polishing
2022-03-09 15:22:22 +01:00
Philip Eisenlohr
73f01c07d0
clarified colormap default; accept string as colormap name
2022-03-08 09:31:08 -05:00
Martin Diehl
b86292d19c
Merge branch 'state-type-cleanup' into polishing
2022-03-06 09:31:25 +01:00
Martin Diehl
612f739794
homogenization state is not integrated
2022-03-06 08:33:36 +01:00
Martin Diehl
d8de8f8b39
initial conditions are of type real
2022-03-05 22:13:37 +01:00
Martin Diehl
f7b18981c9
shorter names (w/o loss of clarity)
2022-03-04 20:17:08 +01:00
Martin Diehl
802957f61e
Merge remote-tracking branch 'origin/development' into separate-vtk
2022-03-01 22:52:36 +01:00
Martin Diehl
954b720992
Merge remote-tracking branch 'origin/development' into polishing
2022-03-01 21:41:27 +01:00
Martin Diehl
0604d94e31
also store stdout
2022-02-28 19:02:46 +01:00
Martin Diehl
2cf904fe49
output to logfile helfulf for debug, especially with MPI
2022-02-28 18:54:46 +01:00
Martin Diehl
ad8758b340
better don't have unlimited time for planning as default
2022-02-28 16:15:07 +01:00
Martin Diehl
7ee440c1b1
separating functionality for more flexibility
2022-02-28 01:35:39 +01:00
Martin Diehl
efa30d1f3a
functions don't need acces to variables of function
...
better keep them out
2022-02-27 17:27:47 +01:00
Martin Diehl
1cae6c4533
keep functionality separated
2022-02-27 17:02:13 +01:00
Martin Diehl
c8e70ada62
extend to multiple homogenization scheme
2022-02-27 16:58:40 +01:00
Martin Diehl
53fe11484d
not used
2022-02-27 15:50:55 +01:00
Martin Diehl
f78c422af9
easier to understand
...
the condition is there to avoid problems if the dataset is not created
because it is empty (e.g. requesting xi_sl for Nslip=[0])
2022-02-27 15:50:43 +01:00
Martin Diehl
3ee0434836
avoid nasty error in MPI parallel situations
2022-02-24 15:18:37 +01:00
Martin Diehl
28ffdb7c1c
simplified
2022-02-24 12:41:14 +01:00
Martin Diehl
2bdf0d11cb
check N_constituents only if active
2022-02-24 12:13:22 +01:00
Martin Diehl
8a84f6b07f
origin can be negative
2022-02-24 11:24:54 +01:00
Martin Diehl
cf3f869877
make clear that mechanical is always initialized
2022-02-23 06:19:16 +01:00
Martin Diehl
852959e1b8
call correct funtion
...
does nothing than reporting at the moment
2022-02-23 05:44:12 +01:00
Martin Diehl
339d081dd5
simplified logic to reflect what we are doing
2022-02-23 05:42:44 +01:00
Martin Diehl
94c6542122
more helpful error message
2022-02-23 05:33:30 +01:00
Sharan
9ff31d4f2b
suggested changes from MR !530
2022-02-22 23:16:14 +01:00
Sharan
176b7b200a
Merge remote-tracking branch 'origin/development' into thermal-partioning
2022-02-22 23:08:19 +01:00
Sharan Roongta
3657b2316d
Merge branch 'homogenization-output' into 'development'
...
extra output in phase_thermal and homogenization_mechanical
See merge request damask/DAMASK!530
2022-02-22 11:08:27 +00:00
Sharan Roongta
e26e8c715f
pass data to homogenization and phase level at the same time
2022-02-21 22:40:41 +01:00
Martin Diehl
f6bcabd328
Update crystal structure name
2022-02-21 09:00:00 +00:00
Martin Diehl
2f08624c18
Use centrally defined room temperature
2022-02-19 21:42:38 +01:00
Martin Diehl
dce8f9e635
enable output of temperature per phase
2022-02-19 18:56:41 +01:00
Martin Diehl
968e55b0bc
output homogogenized F and P
...
was disabled for historic reasons only
2022-02-19 15:35:38 +01:00
Martin Diehl
b44a862a8a
data structures to output mechanical results (homogenization)
2022-02-19 14:19:11 +01:00
Martin Diehl
d97f515b77
polishing
...
RGC numerics is still annoying (and was probably never used in the last
10 years)
2022-02-19 13:56:24 +01:00
Philip Eisenlohr
66e4632655
Merge branch 'parallel-mesh' into 'development'
...
avoid deadlock for MPI runs
See merge request damask/DAMASK!526
2022-02-17 21:37:37 +00:00
Martin Diehl
cfe01b83f8
avoid deadlock for MPI runs
2022-02-17 21:37:37 +00:00
Philip Eisenlohr
41389963a7
Merge branch 'python-polishing' into 'development'
...
python polishing
See merge request damask/DAMASK!528
2022-02-17 20:23:54 +00:00
Martin Diehl
eca57d3b5f
Merge remote-tracking branch 'origin/development' into dislotwin-fix-TWIP-TRIP
2022-02-17 08:17:39 +01:00
Martin Diehl
89a914bbe7
correct reporting of units
2022-02-17 07:13:39 +01:00
Franz Roters
6fce27deeb
Merge branch 'homogenization-respect-fraction' into 'development'
...
bugfix: change of behavior
See merge request damask/DAMASK!525
2022-02-16 14:30:35 +00:00
Navyanth Kusampudi
b0bbb1c286
Merge branch 'spectral-polish' into 'development'
...
Spectral polish
See merge request damask/DAMASK!524
2022-02-15 12:32:09 +00:00
Martin Diehl
c66e2336c2
some versions of ifort have problems with 'do concurrent'
2022-02-14 15:08:35 +01:00
Martin Diehl
ebcf0fa625
Merge remote-tracking branch 'origin/development' into homogenization-respect-fraction
2022-02-14 09:19:49 +01:00
Martin Diehl
466682e978
missing rename grid -> cells
2022-02-14 08:32:48 +01:00
Martin Diehl
61e11a0529
use openMP for operations in Fourier space
2022-02-14 08:30:24 +01:00
Philip Eisenlohr
1ecbeb6924
Merge branch 'more-material-examples' into 'development'
...
added and curated example material.yaml files
See merge request damask/DAMASK!521
2022-02-14 05:06:54 +00:00
Martin Diehl
0008ad1bf8
easier to understand
2022-02-14 05:57:48 +01:00
Martin Diehl
ac4beea14b
use precalculated dyad
2022-02-14 05:47:50 +01:00
Martin Diehl
99c2f58553
ensure that data is read
2022-02-12 22:38:58 +01:00
Martin Diehl
9d1cc93a81
no need to store dotstate
2022-02-11 14:23:41 +01:00
Martin Diehl
b43695067d
Merge remote-tracking branch 'origin/development' into nonlocal-standard-access
2022-02-11 12:53:58 +01:00
Martin Diehl
7c18f3f276
simplified
2022-02-11 12:26:50 +01:00
Martin Diehl
90dabadf08
Merge remote-tracking branch 'origin/development' into dislotwin-fix-TWIP-TRIP
2022-02-11 06:05:09 +01:00
Martin Diehl
2110690ae4
Merge remote-tracking branch 'origin/development' into no-global-dot-state
2022-02-09 22:53:04 +01:00
Franz Roters
e0ed668ce0
Merge branch 'Fortran-polishing' into 'development'
...
a number of small improvements
See merge request damask/DAMASK!516
2022-02-09 16:01:00 +00:00
Martin Diehl
bd657e6c62
fixed style and corrected copy and paste errors
2022-02-09 12:29:55 +01:00
Martin Diehl
28eda64893
bugfix: change of behavior
...
fraction needed for calculation of homogenized response
2022-02-08 00:24:06 +01:00
Martin Diehl
345659b0e8
update sta file after each inc
2022-02-07 15:09:26 +01:00
Martin Diehl
739a4b7a26
need to store fraction for proper homogenization
2022-02-07 14:25:03 +01:00
Martin Diehl
e3a9adc722
not used
2022-02-07 07:20:15 +01:00
Martin Diehl
2a59251b1d
deprecated reporting
...
crystallite does not exist anymore, information was discretization
related
2022-02-06 22:23:21 +01:00
Martin Diehl
a37438ca29
helpful information about the parallel environment
2022-02-06 22:07:13 +01:00
Martin Diehl
0cf0112029
simplified
2022-02-06 15:59:46 +01:00
Martin Diehl
9386ba5ef5
allocate not needed
2022-02-06 12:59:41 +01:00
Martin Diehl
59fdd9b586
in agreement with paper
...
this is the sytem-wise formulation of D. Steinmetz' model
2022-02-06 10:07:15 +01:00
Martin Diehl
20b2079135
need to read V_mol, default of 1.0 gives strange results
2022-02-06 08:10:35 +01:00
Martin Diehl
519ca6f990
ifort does not allow rename of already imported symbols
2022-02-05 20:00:55 +01:00
Martin Diehl
4ca0ea6af2
avoid linking issues with gfortran+MPI
...
most likely related to the fact that HDF5 uses the old Fortran
inferface, not MPI_f08 as DAMASK
2022-02-05 18:38:06 +01:00
Martin Diehl
12e7922faf
use modern Fortran interface
...
not possible for HDF5...
2022-02-05 18:37:38 +01:00
Martin Diehl
6c032e3ce6
remove deprecated mappings
...
almost done with having a consistent access pattern
solver
======
grid: x,y,z; mesh: el,ip
homogenization
==============
interface to solver: ce
internal: ho,en
phase
=====
interface to homogenization: co,ce
internal: ph,en
2022-02-05 10:01:55 +01:00
Martin Diehl
5f0a630fa6
remove deprecated phaseAt/phaseMemberAt
2022-02-05 08:24:07 +01:00
Martin Diehl
6d78400f87
the concept of IP/element_ID should not be used at the DAMASK core
2022-02-05 07:29:00 +01:00
Martin Diehl
3c148b5b0e
bugfix: openMP variable was not protected
2022-02-04 18:55:59 +01:00
Martin Diehl
3990536f1c
consistent order of arguments
2022-02-04 17:42:05 +01:00
Martin Diehl
afed13e2ca
ip/el not of interest
2022-02-04 13:23:37 +01:00
Martin Diehl
8aed927989
avoid use of co/ip/el at the phase level
2022-02-04 11:28:54 +01:00
Martin Diehl
3a0596a274
use en/ph access
2022-02-04 09:43:27 +01:00
Martin Diehl
2bd10a1261
avoid use of IP/el
2022-02-04 08:40:15 +01:00
Martin Diehl
900ef0a2c9
store IP neighborhood for ph/en access
2022-02-04 08:03:16 +01:00
Martin Diehl
8b12814eec
common variable names
2022-02-04 06:42:14 +01:00
Martin Diehl
c70e535da8
avoid access by el/ip
2022-02-04 00:32:13 +01:00
Martin Diehl
ce1eb4f59e
no need to store dot state
...
saves memory and flow is easier to understand
2022-02-03 23:40:25 +01:00
Martin Diehl
a9a5c8fb73
simplify acces with pointer
...
naming will be adjusted once global deltaState is removed
2022-02-03 23:08:29 +01:00
Martin Diehl
85ca3a3f24
simplified/standardized
2022-02-03 22:57:32 +01:00
Martin Diehl
0807112a71
new tests with T_ref = 293.15K (20°C)
...
seems to be the most common choice for room temperature
2022-02-03 22:36:27 +01:00
Martin Diehl
a243e10641
Merge remote-tracking branch 'origin/development' into Fortran-polishing
2022-02-03 09:01:33 +01:00
Martin Diehl
2cb3b2cc45
not needed
2022-02-03 07:58:51 +01:00
Sharan
038cdad85e
new naming
2022-02-02 23:58:21 +01:00
Sharan
d72347fe25
Merge remote-tracking branch 'origin/development' into thermal-restart
2022-02-02 23:07:32 +01:00
Martin Diehl
97f849c098
Merge remote-tracking branch 'origin/typehints_rngseed' into development
2022-02-02 22:45:52 +01:00
Martin Diehl
d868a240b2
bugix: change of behavior
2022-02-02 16:45:13 +00:00
Martin Diehl
8fead8e306
relaxed tolerances
...
for optimized code, the last digit might differ
2022-02-02 13:48:04 +01:00
Sharan
3e73d28631
Merge remote-tracking branch 'origin/development' into thermal-restart
2022-02-01 23:07:55 +01:00
Martin Diehl
a14735f3db
first step towards removal of global dot state
...
less state => better code
2022-02-01 13:40:09 +01:00
Martin Diehl
4eb9c3dea7
correct name
2022-02-01 13:40:09 +01:00
Martin Diehl
49ca62f3af
only Chuck Norris can divide by zero
2022-02-01 11:22:27 +01:00
Martin Diehl
1871dcd75a
small polishing
2022-02-01 09:03:39 +01:00
Martin Diehl
08d3e22bcd
size is known
2022-02-01 08:35:00 +01:00
Martin Diehl
39aa243695
Polynomial Class
2022-01-31 14:05:15 +00:00
Martin Diehl
a673abb413
indicate that this mapping should be used only for C
2022-01-30 06:24:50 +01:00
Martin Diehl
f70df11b67
consistent reporting
2022-01-29 15:59:22 +01:00
Martin Diehl
762f93d724
following naming convention
2022-01-29 15:30:59 +01:00
Martin Diehl
487912cfb0
following Python notation
2022-01-29 15:14:40 +01:00
Martin Diehl
477f2d8167
capitalize constants
2022-01-29 14:49:45 +01:00
Martin Diehl
774ec4e8c4
not used
2022-01-29 14:47:14 +01:00
Martin Diehl
dd0f2cfa3c
tau is often easier to use than pi
...
https://tauday.com/tau-manifesto
2022-01-29 14:46:09 +01:00
Martin Diehl
4a84c42112
improving constants
...
IUPAC does not specify an official ambient temperature, T=273.15K from
standard temperature and pressure (STP) is not particularly suited for our
purposes
2022-01-29 13:49:41 +01:00
Martin Diehl
978aa8a690
Merge remote-tracking branch 'origin/development' into dislotwin-fix-TWIP-TRIP
2022-01-27 15:22:51 +01:00
Martin Diehl
ea33b321aa
correct calculation of shear
...
need to convert volume to shear (and back for output)
2022-01-27 08:08:42 +01:00
Martin Diehl
1e748dc54e
commenting
2022-01-27 07:28:33 +01:00
Martin Diehl
e7ed32ba4e
not needed
2022-01-27 00:01:53 +01:00
Martin Diehl
3bb2ae45d3
bugfixes
...
- L_tw/tr are not in lengths of Burgers vectors anymore
- need to define characteristic shear for tr
2022-01-26 23:57:59 +01:00
Martin Diehl
7d0d13bfed
following paper
...
eq (10), eq (14), eq (49), eq (50), and Fig. 1
2022-01-26 23:28:39 +01:00
Martin Diehl
9e17efd1f8
transformation is for fcc-> hcp
2022-01-26 23:13:56 +01:00
Martin Diehl
95fff5d6f7
limit to TWINNING to fcc
2022-01-26 23:01:47 +01:00
Martin Diehl
8ceab5326f
more systematic handling of bcc/hcp case
2022-01-26 22:49:11 +01:00
Martin Diehl
d9f96bc0ec
following paper, eq. (36) and eq. (37)
2022-01-26 22:33:44 +01:00
Martin Diehl
60e6e90874
avoid global states
2022-01-26 22:21:34 +01:00
Martin Diehl
5267794ff2
second order expansion of temperature-dependent variables
2022-01-26 22:04:44 +01:00