28ffdb7c1c
simplified
2022-02-24 12:41:14 +01:00
2bdf0d11cb
check N_constituents only if active
2022-02-24 12:13:22 +01:00
8a84f6b07f
origin can be negative
2022-02-24 11:24:54 +01:00
cf3f869877
make clear that mechanical is always initialized
2022-02-23 06:19:16 +01:00
852959e1b8
call correct funtion
...
does nothing than reporting at the moment
2022-02-23 05:44:12 +01:00
339d081dd5
simplified logic to reflect what we are doing
2022-02-23 05:42:44 +01:00
94c6542122
more helpful error message
2022-02-23 05:33:30 +01:00
9ff31d4f2b
suggested changes from MR !530
2022-02-22 23:16:14 +01:00
176b7b200a
Merge remote-tracking branch 'origin/development' into thermal-partioning
2022-02-22 23:08:19 +01:00
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
e26e8c715f
pass data to homogenization and phase level at the same time
2022-02-21 22:40:41 +01:00
f6bcabd328
Update crystal structure name
2022-02-21 09:00:00 +00:00
2f08624c18
Use centrally defined room temperature
2022-02-19 21:42:38 +01:00
dce8f9e635
enable output of temperature per phase
2022-02-19 18:56:41 +01:00
968e55b0bc
output homogogenized F and P
...
was disabled for historic reasons only
2022-02-19 15:35:38 +01:00
b44a862a8a
data structures to output mechanical results (homogenization)
2022-02-19 14:19:11 +01:00
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
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
cfe01b83f8
avoid deadlock for MPI runs
2022-02-17 21:37:37 +00:00
41389963a7
Merge branch 'python-polishing' into 'development'
...
python polishing
See merge request damask/DAMASK!528
2022-02-17 20:23:54 +00:00
eca57d3b5f
Merge remote-tracking branch 'origin/development' into dislotwin-fix-TWIP-TRIP
2022-02-17 08:17:39 +01:00
89a914bbe7
correct reporting of units
2022-02-17 07:13:39 +01:00
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
b0bbb1c286
Merge branch 'spectral-polish' into 'development'
...
Spectral polish
See merge request damask/DAMASK!524
2022-02-15 12:32:09 +00:00
c66e2336c2
some versions of ifort have problems with 'do concurrent'
2022-02-14 15:08:35 +01:00
ebcf0fa625
Merge remote-tracking branch 'origin/development' into homogenization-respect-fraction
2022-02-14 09:19:49 +01:00
466682e978
missing rename grid -> cells
2022-02-14 08:32:48 +01:00
61e11a0529
use openMP for operations in Fourier space
2022-02-14 08:30:24 +01:00
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
0008ad1bf8
easier to understand
2022-02-14 05:57:48 +01:00
ac4beea14b
use precalculated dyad
2022-02-14 05:47:50 +01:00
99c2f58553
ensure that data is read
2022-02-12 22:38:58 +01:00
9d1cc93a81
no need to store dotstate
2022-02-11 14:23:41 +01:00
b43695067d
Merge remote-tracking branch 'origin/development' into nonlocal-standard-access
2022-02-11 12:53:58 +01:00
7c18f3f276
simplified
2022-02-11 12:26:50 +01:00
90dabadf08
Merge remote-tracking branch 'origin/development' into dislotwin-fix-TWIP-TRIP
2022-02-11 06:05:09 +01:00
2110690ae4
Merge remote-tracking branch 'origin/development' into no-global-dot-state
2022-02-09 22:53:04 +01:00
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
bd657e6c62
fixed style and corrected copy and paste errors
2022-02-09 12:29:55 +01:00
28eda64893
bugfix: change of behavior
...
fraction needed for calculation of homogenized response
2022-02-08 00:24:06 +01:00
345659b0e8
update sta file after each inc
2022-02-07 15:09:26 +01:00
739a4b7a26
need to store fraction for proper homogenization
2022-02-07 14:25:03 +01:00
e3a9adc722
not used
2022-02-07 07:20:15 +01:00
2a59251b1d
deprecated reporting
...
crystallite does not exist anymore, information was discretization
related
2022-02-06 22:23:21 +01:00
a37438ca29
helpful information about the parallel environment
2022-02-06 22:07:13 +01:00
0cf0112029
simplified
2022-02-06 15:59:46 +01:00
9386ba5ef5
allocate not needed
2022-02-06 12:59:41 +01:00
59fdd9b586
in agreement with paper
...
this is the sytem-wise formulation of D. Steinmetz' model
2022-02-06 10:07:15 +01:00
20b2079135
need to read V_mol, default of 1.0 gives strange results
2022-02-06 08:10:35 +01:00
519ca6f990
ifort does not allow rename of already imported symbols
2022-02-05 20:00:55 +01:00
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
12e7922faf
use modern Fortran interface
...
not possible for HDF5...
2022-02-05 18:37:38 +01:00
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
5f0a630fa6
remove deprecated phaseAt/phaseMemberAt
2022-02-05 08:24:07 +01:00
6d78400f87
the concept of IP/element_ID should not be used at the DAMASK core
2022-02-05 07:29:00 +01:00
3c148b5b0e
bugfix: openMP variable was not protected
2022-02-04 18:55:59 +01:00
3990536f1c
consistent order of arguments
2022-02-04 17:42:05 +01:00
afed13e2ca
ip/el not of interest
2022-02-04 13:23:37 +01:00
8aed927989
avoid use of co/ip/el at the phase level
2022-02-04 11:28:54 +01:00
3a0596a274
use en/ph access
2022-02-04 09:43:27 +01:00
2bd10a1261
avoid use of IP/el
2022-02-04 08:40:15 +01:00
900ef0a2c9
store IP neighborhood for ph/en access
2022-02-04 08:03:16 +01:00
8b12814eec
common variable names
2022-02-04 06:42:14 +01:00
c70e535da8
avoid access by el/ip
2022-02-04 00:32:13 +01:00
ce1eb4f59e
no need to store dot state
...
saves memory and flow is easier to understand
2022-02-03 23:40:25 +01:00
a9a5c8fb73
simplify acces with pointer
...
naming will be adjusted once global deltaState is removed
2022-02-03 23:08:29 +01:00
85ca3a3f24
simplified/standardized
2022-02-03 22:57:32 +01:00
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
a243e10641
Merge remote-tracking branch 'origin/development' into Fortran-polishing
2022-02-03 09:01:33 +01:00
2cb3b2cc45
not needed
2022-02-03 07:58:51 +01:00
038cdad85e
new naming
2022-02-02 23:58:21 +01:00
d72347fe25
Merge remote-tracking branch 'origin/development' into thermal-restart
2022-02-02 23:07:32 +01:00
97f849c098
Merge remote-tracking branch 'origin/typehints_rngseed' into development
2022-02-02 22:45:52 +01:00
d868a240b2
bugix: change of behavior
2022-02-02 16:45:13 +00:00
8fead8e306
relaxed tolerances
...
for optimized code, the last digit might differ
2022-02-02 13:48:04 +01:00
3e73d28631
Merge remote-tracking branch 'origin/development' into thermal-restart
2022-02-01 23:07:55 +01:00
a14735f3db
first step towards removal of global dot state
...
less state => better code
2022-02-01 13:40:09 +01:00
4eb9c3dea7
correct name
2022-02-01 13:40:09 +01:00
49ca62f3af
only Chuck Norris can divide by zero
2022-02-01 11:22:27 +01:00
1871dcd75a
small polishing
2022-02-01 09:03:39 +01:00
08d3e22bcd
size is known
2022-02-01 08:35:00 +01:00
39aa243695
Polynomial Class
2022-01-31 14:05:15 +00:00
a673abb413
indicate that this mapping should be used only for C
2022-01-30 06:24:50 +01:00
f70df11b67
consistent reporting
2022-01-29 15:59:22 +01:00
762f93d724
following naming convention
2022-01-29 15:30:59 +01:00
487912cfb0
following Python notation
2022-01-29 15:14:40 +01:00
477f2d8167
capitalize constants
2022-01-29 14:49:45 +01:00
774ec4e8c4
not used
2022-01-29 14:47:14 +01:00
dd0f2cfa3c
tau is often easier to use than pi
...
https://tauday.com/tau-manifesto
2022-01-29 14:46:09 +01:00
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
978aa8a690
Merge remote-tracking branch 'origin/development' into dislotwin-fix-TWIP-TRIP
2022-01-27 15:22:51 +01:00
ea33b321aa
correct calculation of shear
...
need to convert volume to shear (and back for output)
2022-01-27 08:08:42 +01:00
1e748dc54e
commenting
2022-01-27 07:28:33 +01:00
e7ed32ba4e
not needed
2022-01-27 00:01:53 +01:00
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
7d0d13bfed
following paper
...
eq (10), eq (14), eq (49), eq (50), and Fig. 1
2022-01-26 23:28:39 +01:00
9e17efd1f8
transformation is for fcc-> hcp
2022-01-26 23:13:56 +01:00
95fff5d6f7
limit to TWINNING to fcc
2022-01-26 23:01:47 +01:00
8ceab5326f
more systematic handling of bcc/hcp case
2022-01-26 22:49:11 +01:00
d9f96bc0ec
following paper, eq. (36) and eq. (37)
2022-01-26 22:33:44 +01:00
60e6e90874
avoid global states
2022-01-26 22:21:34 +01:00
5267794ff2
second order expansion of temperature-dependent variables
2022-01-26 22:04:44 +01:00
c5fd467b44
power to one not needed
2022-01-26 21:47:33 +01:00
e7a999ffb1
Merge branch '146_grid-indexing+allocation' into 'development'
...
avoid duplicated variables + name adjustments
See merge request damask/DAMASK!505
2022-01-26 14:52:43 +00:00
68ea33c591
start at 1 for the same loop pattern
2022-01-26 12:21:08 +01:00
a86dc322fb
consistently put the check on the next line
2022-01-26 12:18:26 +01:00
f1051ec28f
polishing
2022-01-21 23:34:42 +00:00
96fed368ad
name adjustments
2022-01-21 14:51:46 +01:00
bc1b391449
Merge remote-tracking branch 'origin/development' into 146_grid-indexing+allocation
2022-01-21 07:23:24 +01:00
c2a822d8fd
keys() function for dictionary as in Python.
...
Does not work for gfortran which fails with an ICE.
2022-01-20 23:45:47 +00:00
292cbdee30
consistent name
2022-01-20 14:56:21 +01:00
7bd8452bf8
set return value
2022-01-20 07:56:45 +01:00
7b1080fdb7
better and consistent variable name
2022-01-20 07:42:16 +01:00
1f86111f57
call SNESSetDM after DMDASNESSetFunctionLocal
...
following example ex5f.F90, seems to resolve segmentation fault
2022-01-19 22:57:22 +01:00
fe094939e6
better to understand
2022-01-19 19:43:54 +01:00
0f4f2b6717
use only grid, not (x/y/z) start and end
2022-01-19 19:38:07 +01:00
89cb018189
polishing
2022-01-19 18:58:46 +01:00
3d6dcad385
Merge remote-tracking branch 'origin/thermal-solver-improvements' into 146_grid-indexing+allocation
2022-01-19 18:50:55 +01:00
25ddec76e7
avoid (x/y/z)end and (x/y/z)start, same information is in grid
2022-01-19 17:41:16 +01:00
96ff3314a3
simplified
2022-01-19 17:10:47 +01:00
642df40634
one-based counting
2022-01-19 16:56:54 +01:00
1ad537b60c
better to use global grid dimensions
...
also checking early allocation of Temperature field
2022-01-19 16:54:10 +01:00
b18483cc6e
simplify MPI debugging
...
needs manual modification in the source code
2022-01-19 16:45:14 +01:00
869fdc847a
Merge branch 'development' into misc-improvements
2022-01-18 11:02:18 +01:00
c5fd6a3677
random seed should contain some entropy
...
setting all elements to the same value does not make sense. Moreover,
negative values are allowed
2022-01-18 10:47:26 +01:00
8b5122f52a
Merge branch 'physics-based-hex-interactions' into 'development'
...
Physics based hex interactions
See merge request damask/DAMASK!495
2022-01-17 15:24:05 +00:00
40ee4d3dd1
Merge branch 'petsc-64bit-integer' into 'development'
...
support for PETSc with 64bit integers
See merge request damask/DAMASK!496
2022-01-17 09:16:39 +00:00
1d2bbc8cd9
Merge branch 'dislotwin-fix-tangent' into 'development'
...
corrected tangent calculation for twinning and transformation
See merge request damask/DAMASK!492
2022-01-17 07:57:51 +00:00
a37178ddee
handle case of -0.0
...
-0.0 < 0.0 ! false
so need sign to change direction for also for the corner case of -0.0
2022-01-15 12:28:39 +01:00
d1cd125a5b
direct array reversal, don't duplicate FFTW manual
2022-01-15 12:27:07 +01:00
2c054f2b38
use same hex-hex interaction documentation as webpage
2022-01-13 11:23:09 -05:00
45e33782e4
documentating more hex interactions
2022-01-13 10:42:05 -05:00
82dabe29c1
mesh: separate kind for DAMASK and PETSc integers
2022-01-13 16:30:42 +01:00
4562f4262c
add documentation to source code
2022-01-13 10:14:36 -05:00
29530da579
use correct kind of constants for calls to MPI/PETSc
2022-01-13 13:50:30 +01:00
91a3ea96ec
final MPI-DAMASK integer kind decoupling
...
bugfix: set error for openMP-calucations
2022-01-13 13:21:44 +01:00
d7dbb6ffc2
needs to be public for Marc
2022-01-13 12:03:22 +01:00
a7417a7ad7
default integer, PETSc integer, and MPI integer might be different
2022-01-13 12:02:33 +01:00
a3a3388855
decouple DAMASK default integer from MPI default integer
2022-01-13 10:25:45 +01:00
1c46e7ea1a
not needed
2022-01-13 08:30:46 +01:00
8223dc7fa7
polishing
...
MPI, HDF5, PETSc, and DAMASK might have different integer kinds ..
2022-01-13 08:17:31 +01:00
3fb5bd459c
pInt leftovers
2022-01-13 07:44:15 +01:00
4727652856
default integer is set via a compiler flag
2022-01-13 07:37:38 +01:00
236f0297ac
test added
2022-01-12 20:42:37 +01:00
fd3c18ea4d
calculate global entry in 64 bit
2022-01-12 17:58:44 +01:00
ae0eead748
write out mapping as 64 bit integer
2022-01-12 17:44:07 +01:00
18913bb94e
autodetect datatype
2022-01-12 17:33:14 +01:00
a87db2ba0b
test for long long integer
2022-01-12 16:56:24 +01:00
4bfc814a53
Merge remote-tracking branch 'origin/development' into petsc-64bit-integer
2022-01-12 16:37:22 +01:00
76fe2d2b36
Merge branch 'misc-improvements' into 'development'
...
polishing
See merge request damask/DAMASK!497
2022-01-11 15:45:09 +00:00
e80d91e30a
thermal restart (WIP)
2022-01-11 16:11:18 +01:00
16fbd1757c
integer exponents are potentially faster
2022-01-10 20:50:46 +01:00
eea8aa94af
not used
2022-01-10 18:50:28 +01:00
1026d56842
credit where credit is due
...
referencing DOI gives faster access to actual data
2022-01-09 08:05:42 +01:00
a884b99aa9
Merge remote-tracking branch 'origin/development' into physics-based-hex-interactions
2022-01-08 20:45:46 +01:00
dd6e9a016e
just off by 46 orders of magnitude ;)
2022-01-08 12:07:29 +00:00
b12a180974
added literature reference for constitutive law
2022-01-06 09:54:33 -05:00
1140625b12
copy and paste error
2022-01-04 17:29:45 +01:00
03e3fbd98f
compute only when needed
2022-01-04 07:44:14 +01:00
4a7f23069c
avoid misleading variable name
2022-01-04 07:32:56 +01:00
79fa888c99
Merge remote-tracking branch 'origin/development' into dislotwin-fix-tangent
2022-01-04 07:05:40 +01:00
b8203e94d8
Merge branch 'pure-LAPACK' into 'development'
...
improved function attributes
See merge request damask/DAMASK!491
2022-01-03 14:07:54 +00:00
510a26ded9
is used in dislotwin according to original paper
2022-01-03 10:36:23 +01:00
03c6708629
polishing
2022-01-01 19:52:32 +01:00
d181b988c1
using vector access
2022-01-01 19:52:20 +01:00
770cf33667
correct calculation of tangent.
...
thanks to Seyedamirhossein Motaman (RWTH Aachen) for reporting
2022-01-01 19:51:31 +01:00
b34655b7fc
functions without side-effects are 'pure'
...
basically all 'getter' functions should be pure
2022-01-01 11:39:14 +01:00
2f74e0d070
avoid failing self test
...
increase number of samples to have less corner cases.
Needs to be allocatable to avoid stack/heap issue on ifort
2022-01-01 11:39:02 +01:00
e678b231d9
following naming convention
2021-12-31 13:32:18 +01:00
017c182640
branch only once
2021-12-31 13:30:53 +01:00
0116e2dae6
bugfix: write only to active twin/trans system
2021-12-31 10:44:12 +01:00
f2b6ddece1
reduce memory footprint
2021-12-31 08:12:30 +01:00
d130225c9f
polishing
2021-12-31 08:12:17 +01:00
da00f33487
transformation is only for fcc
2021-12-31 08:11:12 +01:00
1661b815b2
correct calculation of temperature dependent stacking fault energy
2021-12-31 08:11:01 +01:00
de9183af4e
functions without side-effects are 'pure'
...
basically all 'getter' functions should be pure
2021-12-31 08:10:49 +01:00
95c64f7a0a
avoid failing self test
...
increase number of samples to have less corner cases.
Needs to be allocatable to avoid stack/heap issue on ifort
2021-12-31 08:10:09 +01:00
fb51e3c4cd
functions have no side-effects, hence 'pure'
2021-12-29 07:19:26 +01:00
59bb264b5f
LAPACK routines can be considered pure
...
all arguments have 'intent' specification and don't access any global
variables.
output to screen only occurs in the case that someting goes wrong
2021-12-29 07:09:52 +01:00
4583c17080
corrent 'intent' specification
...
- http://www.netlib.org/lapack/explore-html/d7/d3b/group__double_g_esolve_ga5ee879032a8365897c3ba91e3dc8d512.html
- http://www.netlib.org/lapack/explore-html/dd/d9a/group__double_g_ecomputational_ga56d9c860ce4ce42ded7f914fdb0683ff.html
2021-12-29 07:00:28 +01:00
1e965c42b7
don't rely on ML
...
avoid dependencies to external packages as much as possible
2021-12-27 17:44:22 +01:00
1ddf1e5694
support for PETSc with 64bit integers
...
compiles, but untested
2021-12-21 23:53:46 +01:00
e10dea5b6c
easier to understand
2021-12-19 22:53:48 +01:00
00230d482f
use data from other physics directly
...
more clear code, simplified interfaces
2021-12-19 22:07:23 +01:00
5af6cc288b
whitespace adjustments
2021-12-19 21:46:10 +01:00
f833d348e0
testing random sampling
2021-12-17 08:01:15 +01:00
f40d731fe1
use the Box-Muller transform instead of random sampling
...
still needs testing.
2021-12-16 21:22:44 +01:00
6ba2a08e5a
easier to read
2021-12-11 11:50:40 +01:00
d6ba73d9e2
consistent names
2021-12-11 09:54:46 +01:00
f51633d43a
forall is deprecated
...
do concurrent is the successor but ifort had problems and generated
faulty code
2021-12-11 09:01:42 +01:00
7d7d0c2659
only local variable are good variables
2021-12-11 08:49:30 +01:00
a23a714bd0
polishing
2021-12-07 19:10:24 +01:00
d66b9e1896
subdivision of interaction matrix for hcp
2021-12-06 16:51:18 +01:00
a4cd663fc0
Merge branch 'no-2prism-hex' into development
2021-12-06 16:45:01 +01:00
fe2123bae4
2. order prismatic systems are not needed
...
not clear for which material they have been introduced, according to
T.R. Bieler and P. Eisenlohr they are typicall not active in any
material of interest
2021-12-06 12:23:24 +01:00
8ade749f05
avoid conversions
2021-12-06 08:55:00 +01:00
2fb368cf8c
consistent space (as in 'end module' etc)
2021-12-06 07:59:40 +01:00
08a709c6d9
capitalize HDF5 prefix
2021-12-06 07:55:22 +01:00
2f067b544e
use variables, not descriptors
2021-12-06 07:55:13 +01:00
c818756f68
wrong check
...
iand is used for checking, see https://support.hdfgroup.org/HDF5/doc/RM/H5Z/H5Zget_filter_info.htm
2021-12-02 20:51:33 +01:00
Martin Diehl