91b71fdff8
systematic naming scheme
2022-04-24 04:45:41 +02:00
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
0e65d44bdc
separating functionality
...
signal handling and CLI handling are not really related
2022-04-23 14:46:26 +02:00
690b2e9c21
tolerances were to strict for certain operations
2022-04-22 07:18:53 +02:00
745f5348cd
running new tests
2022-04-22 00:01:54 +02:00
df3f4d9480
testing forward/backward FFT
2022-04-20 07:02:59 +02:00
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
4a93dbec11
more descriptive variable names
2022-04-19 13:11:40 -04:00
b796ccb04a
DAMASK requires gfortran >= 9
2022-04-18 13:18:14 +02:00
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
954a336d92
Fortran side does not support tags (i.e. 'type hints')
2022-04-16 16:24:29 +02:00
3cc3229792
string new line which is added by libfyaml
2022-04-16 16:19:33 +02:00
f9c43e9db7
Merge remote-tracking branch 'origin/development' into consistent-damage-parameter-names
2022-04-15 10:32:36 +02:00
dbf5ee84cb
better readable
2022-04-14 21:21:32 +02:00
b56176d670
all YAML related initialization is constant (linear in number of points)
2022-04-14 16:17:17 +02:00
3309360e4b
avoit out of bounds access
2022-04-14 07:20:16 +02:00
563d566a3f
made two loops faster
...
the most annoying one is still slow.
2022-04-14 06:39:19 +02:00
ca0df3389a
avoid long pointer transversal
2022-04-14 00:06:54 +02:00
00671f943b
easier to understand
2022-04-13 23:45:14 +02:00
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
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
0376de4a11
not needed
2022-04-04 08:17:06 +02:00
34cc66f1bf
use old interface for previous PETSc versions
2022-04-04 08:14:48 +02:00
8d44c55141
support for PETSc 3.17.0
...
DCHKERRQ has been replaced by PetscCall
2022-04-03 17:56:17 +02:00
fb633798af
following paper
2022-04-01 19:47:40 +02:00
945b10e3e6
avoid segmentation fault (null is returned if not scalar)
2022-03-20 00:00:52 +01:00
8f9ba9d6e4
test with initial conditions in grid file
2022-03-10 18:51:27 +01:00
e8383cec69
Merge remote-tracking branch 'origin/development' into initial-temp
2022-03-10 08:52:05 +01:00
790ca57ea0
specify initial temperature per point
2022-03-09 21:29:40 +01:00
da5ba82299
initial condition can be specified per point/cell
2022-03-09 20:40:03 +01:00
c2453c56f1
Merge remote-tracking branch 'origin/development' into polishing
2022-03-09 15:22:22 +01:00
73f01c07d0
clarified colormap default; accept string as colormap name
2022-03-08 09:31:08 -05:00
b86292d19c
Merge branch 'state-type-cleanup' into polishing
2022-03-06 09:31:25 +01:00
612f739794
homogenization state is not integrated
2022-03-06 08:33:36 +01:00
d8de8f8b39
initial conditions are of type real
2022-03-05 22:13:37 +01:00
f7b18981c9
shorter names (w/o loss of clarity)
2022-03-04 20:17:08 +01:00
802957f61e
Merge remote-tracking branch 'origin/development' into separate-vtk
2022-03-01 22:52:36 +01:00
954b720992
Merge remote-tracking branch 'origin/development' into polishing
2022-03-01 21:41:27 +01:00
0604d94e31
also store stdout
2022-02-28 19:02:46 +01:00
2cf904fe49
output to logfile helfulf for debug, especially with MPI
2022-02-28 18:54:46 +01:00
ad8758b340
better don't have unlimited time for planning as default
2022-02-28 16:15:07 +01:00
7ee440c1b1
separating functionality for more flexibility
2022-02-28 01:35:39 +01:00
efa30d1f3a
functions don't need acces to variables of function
...
better keep them out
2022-02-27 17:27:47 +01:00
1cae6c4533
keep functionality separated
2022-02-27 17:02:13 +01:00
c8e70ada62
extend to multiple homogenization scheme
2022-02-27 16:58:40 +01:00
53fe11484d
not used
2022-02-27 15:50:55 +01:00
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
3ee0434836
avoid nasty error in MPI parallel situations
2022-02-24 15:18:37 +01:00
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
731e20261c
bugfix for HDF5 without deflate filter
...
before inquiring whether a filter supports compression/decompression, we
first need to check whether it is available at all to avoid raising an
error.
Extended the check to the shuffle filter
2021-12-02 13:00:59 +01:00
5abfe3c214
Merge remote-tracking branch 'origin/development' into MSC-Version
2021-12-01 15:35:49 +01:00
7e7098baf7
Merge branch 'rotate-Voigt' into 'development'
...
Rotate voigt
See merge request damask/DAMASK!463
2021-11-29 16:47:39 +00:00
96e4cb591c
Merge branch 'integer-exponents' into 'development'
...
Using integer exponent
See merge request damask/DAMASK!467
2021-11-29 07:32:04 +00:00
a531b7ccae
transitioned remaining real exponents to int
2021-11-28 12:46:26 -05:00
81daebd0e6
Merge remote-tracking branch 'origin/development' into integer-exponents
2021-11-27 20:44:26 +01:00
1fbeabc949
Merge remote-tracking branch 'origin/development' into rotate-Voigt
2021-11-27 19:55:02 +01:00
ccd6e44b6b
Merge remote-tracking branch 'origin/development' into 134-output_none
2021-11-27 19:17:27 +01:00
2fbe34497e
integer exponents
2021-11-26 14:13:04 -05:00
825eb3824b
polishing
2021-11-26 20:10:21 +01:00
6cad6bc5cf
clarify slip plane for (first) pyr<a>
2021-11-26 13:01:40 +01:00
b88ab1af48
simplify search for interaction parameters
2021-11-26 13:01:40 +01:00
bfc6b69ee2
integer exponents: faster and shorter
2021-11-25 20:52:22 +01:00
f435062a1d
support for Marc2021.3.1
2021-11-25 17:30:22 +01:00
72c717d51d
simplified/correct type
2021-11-25 15:37:13 +01:00
271bb8df88
being consistent
2021-11-25 15:03:00 +01:00
90f967cc86
Merge remote-tracking branch 'origin/T_ref300' into dynamic-C
2021-11-25 12:11:38 +01:00
fb8c515a98
capitalize constants
...
not sure whether we should make exceptions for k_B and T_room
2021-11-25 11:52:52 +01:00
8b06d97e84
Merge remote-tracking branch 'origin/T_ref300' into dynamic-C
2021-11-25 11:18:25 +01:00
e941867290
single source of truth
2021-11-25 06:23:26 +01:00
bc30248b95
0K is not a good reference
2021-11-25 06:12:55 +01:00
35f20811cb
thermal dependent C
2021-11-24 23:21:31 +01:00
da23c916ca
polish
2021-11-21 15:49:04 -05:00
28ff027b38
exploit symmetry for stress calculation
2021-11-20 22:36:01 +01:00
a857285e34
backward transformation for Voigt
2021-11-20 22:09:01 +01:00
f6440f7f17
need to check 'any', adjusted tolerance
2021-11-20 15:18:48 +01:00
87100d1dce
avoid conversion Voigt-6x6 to 3x3x3x3
2021-11-20 15:15:59 +01:00
a6c311f410
commented
2021-11-20 12:16:32 +01:00
021d614daf
using Voigt notation
...
This is a bugfix with a change of behavior
2021-11-19 20:44:30 +01:00
ff9fa1d4f7
using Voigt notation instead of proprietary scaled 6x6 notation
...
Note: This results in a change of behavior for the transformation
systems of dislotwin. I assume that this fixes a bug, but still need to
confirm where the equations in lattice_C66_trans come from
2021-11-19 07:33:59 +01:00
fa8218124a
avoid conversions
2021-11-18 22:02:19 +01:00
038dd1fc40
correct names
...
whether C66 is homogenized or not is a decision of the caller
2021-11-18 21:31:08 +01:00
dfe6d0a195
more support for Voigt notation
2021-11-18 21:06:38 +01:00
020ef64d7d
explicit conversions
2021-11-18 19:37:48 +01:00
8a8fdfc93c
use Voigt notation
...
there is no advantage of using the symmetrized conversions
2021-11-18 17:33:08 +01:00
4d29393ced
simplified
2021-11-18 16:59:23 +01:00
f7a42bdc1a
avoid conversion to 3333
2021-11-18 16:56:36 +01:00
8d64a1c2f2
mark compressed notation
2021-11-18 16:37:34 +01:00
72c07cfc17
'present' propagates
2021-11-18 16:33:21 +01:00
29771feaae
cleaning
2021-11-18 14:43:05 +01:00
eee455c0d3
polishing
2021-11-18 13:12:14 +01:00
0badba032b
Merge remote-tracking branch 'origin/development' into dynamic-C
2021-11-18 10:29:33 +01:00
55d6b1dd1a
preparing for temperature dependent C by calling it dynamically
2021-11-17 21:35:39 +01:00
262ff03b9f
more consistent formatting of loops
2021-11-17 09:11:30 +01:00
4ebf14317a
Merge branch 'development' into pretty-print-init
2021-11-16 12:56:38 -05:00
58410709b9
Merge branch '136-skip-plasticity-calculations-for-purely-elastic' into 'development'
...
reduce computation effort for plasticity==none
Closes #136
See merge request damask/DAMASK!452
2021-11-16 16:28:25 +00:00
43ae4983ed
fixed misaligned/too short "writing..." statements
2021-11-15 12:58:59 -05:00
69843d0833
Merge branch 'development' into pretty-print-init
2021-11-15 12:39:14 -05:00
da9fdf53d2
consistent indentation and line-spacings in reporting
2021-11-15 12:35:44 -05:00
64d70d9be3
user option to have no output
...
f_out = none
2021-11-15 14:39:29 +01:00
f7dbda31e8
style adjustments
...
- two empty lines after variables
- enddo, endif should have space
2021-11-14 06:46:01 +01:00
2408b74cac
reduce computation effort for plasticity==none
2021-11-14 06:45:37 +01:00
aa6efd21cd
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-11-12 08:46:50 +01:00
8138d3a180
style adjustments
2021-11-11 23:59:48 +01:00
ba31ff7263
do not rely on ML per default
2021-11-11 23:23:14 +01:00
b7ad5b3167
'standard' style
2021-11-10 20:53:20 +01:00
186b688b04
only look for opening part of <CellData> tag
2021-11-09 15:10:19 -05:00
0514ca7a56
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-11-08 18:49:41 +01:00
a041551b9f
Merge remote-tracking branch 'origin/development' into mesh-order
2021-11-03 07:57:59 +01:00
f4f0163d5e
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-11-02 13:22:47 +01:00
e0b6a28b48
better matching name
2021-10-31 22:13:36 +01:00
737eff9179
bugfix: change of behavior
...
v_0 was erroneously introduced
use tau = (tau_pos+tau_neg)/2
2021-10-31 18:59:51 +01:00
6d117882c5
use precalculated value
2021-10-31 17:29:35 +01:00
fbc4865c30
mathematically equivalent re-formulation
...
allows to disable contribution from grain size by setting it to a large
value
2021-10-31 15:42:18 +01:00
f5fe0b9dca
bugfix: change of behavior
...
negative values for the resolved stress do not make sense.
The paper does not take this into account (eq (14), Cereceda et. al
2016). According to my understanding, only the non-thermal contributions should be
substracted, so abs(tau_pos)/abs(tau_neg) would not be sufficient.
2021-10-31 09:53:58 +01:00
e20b705f54
following dislotwin
2021-10-30 23:02:51 +02:00
bff186051c
simplified
2021-10-30 22:54:02 +02:00
bb757cf82e
style adjustments
2021-10-30 13:15:03 +02:00
f0a33b452f
unifying style
2021-10-28 07:05:14 +02:00
b4ff89f304
improved test
2021-10-27 22:54:26 +02:00
a00c6743c3
symbolic notation in numerics.yaml
...
- p_i: integration order
- p_s: shape function order
ensure working combination (p_s = p_i: full integration, p_s = p_i+1:
reduced integration)
2021-10-26 11:51:08 +02:00
fc42665838
Merge branch 'modern-complex-components' into 'development'
...
better readable
See merge request damask/DAMASK!444
2021-10-22 10:48:40 +00:00
256c48831e
better readable
2021-10-19 23:08:21 +02:00
2e340d3489
forgotten rename
2021-10-15 22:19:58 +02:00
519bb857d7
save list of files used for compilation
...
helpful for debugging and creating automated documentation
2021-10-15 22:15:08 +02:00
c628c028dc
SYNTAXONLY for mesh, avoid code duplication
2021-10-15 22:14:37 +02:00
dd7549a381
seems to work without further changes
2021-10-06 07:50:42 +02:00
29431eb8c5
same reporting as in python
2021-09-12 21:55:14 +02:00
949eea1624
bugfix: did not work with VTK 8
2021-09-01 11:07:39 +02:00
566e0445fc
old url is not working anymore
2021-08-25 08:18:46 +02:00
129ff28692
Merge remote-tracking branch 'origin/master' into misc-improvements
2021-08-24 16:04:32 +02:00
9061297e6e
typo
2021-08-19 19:57:52 +02:00
caf9a29b73
useful information, especially in logs from bug reports
2021-08-19 07:10:00 +02:00
411f35272a
offset should have been taken into account (like earlier)
...
new changes should not break old functionality
2021-08-19 06:10:44 +02:00
49ccbf3eb8
still not perfect:
...
https://stackoverflow.com/questions/32411963
2021-08-18 22:20:30 +02:00
93d23fa6bb
Merge remote-tracking branch 'origin/development' into YAML-bug-fix
2021-08-17 18:57:14 +02:00
a1fd45bded
offset should have been taken into account (like earlier)
...
new changes should not break old functionality
2021-08-17 17:46:22 +02:00
4160c4fdb4
fix for parallel HDF5
...
if filters are applied, writing from one process does not work if the
file is opened for parallel write
2021-08-15 13:26:15 +02:00
497bf2c645
avoid errors for empty datasets
...
empty dataset cannot be chunked, but filters can only be applied to
chunked datasets
2021-08-14 20:44:59 +02:00
1963343cd8
avoid issues with empty files
...
optional files (numerics.yaml, debug.yaml) can be empty
2021-08-14 20:01:25 +02:00
30d9f57db0
also compress string datasets
...
results in different type (numpy string instead of numpy object), tests need to be adjusted
2021-08-14 16:28:51 +02:00
595cc4e59e
always chunk data
...
for small datasets:
- only one chunk
- no compression
2021-08-14 15:48:07 +02:00
01d5458611
correct line continuation
2021-08-11 14:32:21 +02:00
c2e86a2b2a
lessons learned from compilation with Intel 2021.3
2021-08-10 23:47:13 +02:00
b29b0ecd71
Merge branch 'development' into report-systems
2021-08-10 09:16:13 +02:00
f75235f6a9
Merge branch 'more-flexible-L' into 'development'
...
more flexibility for the L in the load case
See merge request damask/DAMASK!420
2021-08-09 21:27:13 +00:00
cf66b81e3a
avoid code duplication
2021-08-07 22:02:44 +02:00
5b4b1c1933
enforce correct shape
2021-08-05 20:32:58 +02:00
00a053c4c8
Merge remote-tracking branch 'origin/development' into initial-eigenstrain
2021-08-05 16:25:27 +02:00
2635bb012c
Merge remote-tracking branch 'origin/development' into YAML-improvements
2021-08-05 14:49:33 +02:00
68eb930bf0
Merge remote-tracking branch 'origin/development' into report-systems
2021-08-03 21:57:50 +02:00
4a8c836117
Merge branch 'store-sim-setup' into 'development'
...
store information on slip and twin systems
See merge request damask/DAMASK!422
2021-08-03 13:16:59 +00:00
100215edb6
Merge remote-tracking branch 'origin/development' into YAML-improvements
2021-08-02 16:57:07 +02:00
c5a80bc75d
more readable
2021-08-02 16:50:21 +02:00
e8312a49ed
polishing
2021-08-02 10:38:59 +02:00
044a048944
taking care of corner cases (e.g. restart)
...
adjusting tests to take care of new 'setup' group
2021-08-01 22:46:11 +02:00
e97757bd25
Merge remote-tracking branch 'origin/development' into report-systems
2021-07-30 15:49:42 +02:00
e89a03d456
Suggestion by @Franz
2021-07-28 18:04:52 +02:00
578ee2b214
Merge remote-tracking branch 'origin/development' into YAML-improvements
2021-07-28 12:15:09 +02:00
3d7f15c940
meaningful error message incase of mismatch in quotes
2021-07-28 12:14:00 +02:00
5d0c0f4283
outdated instructions
2021-07-27 16:44:52 +02:00
af714cfd5b
broken Intel compiler (do concurrent)
...
errors occur under unclear conditions, better avoid at the moment:
https://community.intel.com/t5/Intel-Fortran-Compiler/do-concurrent-broken-with-openmp/m-p/1301528#M156942
https://community.intel.com/t5/Intel-Fortran-Compiler/Bug-with-do-concurrent-and-openmp/m-p/1173473m
2021-07-27 16:44:13 +02:00
07fb7f8fdf
save information on slip systems for reproducibility
2021-07-27 15:39:21 +02:00
a6f7e4f1a6
play it safe
2021-07-27 10:18:55 +02:00
64d52dbbf4
store input deck, MSC.Marc now 100% reproducible
2021-07-27 09:46:51 +02:00
26ae352a4c
make setup data easily accessible to the user
2021-07-27 09:38:47 +02:00
b9d4eb23cc
only rank 0 reads file for MPI
2021-07-27 08:54:17 +02:00
812b0f07f5
read file only once (per process)
2021-07-27 08:35:52 +02:00
367c088b16
sorting according to dependency (no Makefile)
2021-07-27 08:00:24 +02:00
ddb0429a1d
store load case (full reproducibility for grid solver)
2021-07-27 07:57:04 +02:00
e01d271ee4
store geometry (for full reproducibility)
2021-07-27 07:43:35 +02:00
3b06498c2f
make results self-contained for reproducibility
...
ToDo: same functionality for load and geom
2021-07-27 07:40:55 +02:00
f20302e0ee
early initialization of results
...
need to be done before config if config writes to it
2021-07-27 07:27:18 +02:00
820d590b6b
write string to result
...
requires to open file without MPI support
2021-07-27 07:25:44 +02:00
58c1f5fdc1
write string, only from one MPI process
...
needed to store simulation setup. I don't see a situation where strings
are distributed over multiple processes
2021-07-27 07:23:02 +02:00
a891fe4281
keep it simple
2021-07-26 22:59:53 +02:00
558a643120
microstructure is now dependentState
2021-07-26 22:56:40 +02:00
b5dade2f70
Report slip system definition to result file
2021-07-26 22:49:19 +02:00
855186eb83
Merge remote-tracking branch 'origin/development' into report-systems
2021-07-26 20:29:23 +02:00
c7ed0e7934
Merge remote-tracking branch 'origin/development' into do-concurrent
2021-07-26 20:20:52 +02:00
012f09caa7
Merge branch 'plastic-name-behavior-fix' into 'development'
...
adjusted names and behavior of dislo(tungsten + twin) + kinehardening
See merge request damask/DAMASK!419
2021-07-26 14:51:20 +00:00
ac6d31b1f9
Merge branch 'polishing' into 'development'
...
Polishing
See merge request damask/DAMASK!418
2021-07-26 13:09:49 +00:00
f1f658bbd2
Merge remote-tracking branch 'origin/development' into plastic-name-behavior-fix
2021-07-26 15:07:53 +02:00
6a9c892d7b
Merge branch 'write_ipdisplacements' into 'development'
...
Write ip displacements
See merge request damask/DAMASK!414
2021-07-26 09:01:04 +00:00
e56f2e09a4
trivial and never used
...
even the more commoly used fucntions for 3x3 matrices are not all in use
2021-07-26 10:22:53 +02:00
d19ab4c4f6
co concurrent possible here
...
note: do concurrent cannot be used for the double loops for 66 to 3333!
2021-07-25 14:37:50 +02:00
61a3b33e71
output info about used slip/twin systems
2021-07-25 14:11:07 +02:00
31a4000655
no need for arbitrary dimension
...
not sure if correct, not used at all (even identity4th for 3 dim is not
used, but now at least tested)
2021-07-25 13:32:11 +02:00
3bb5ae3d9e
concurrent/parallel execution is possible here
2021-07-25 13:20:39 +02:00
d2b5a4b339
pointer voodoo for ifort
2021-07-25 10:30:44 +02:00
18b3424975
handle twin and slip systems
2021-07-25 10:12:01 +02:00
c388ab97c9
trying to make sense of HDF5 pointer magic
2021-07-25 09:43:52 +02:00
d9ef1ef5e4
write variable length string (as other, best compatibility with h5py)
2021-07-25 09:36:56 +02:00
26e1e979f5
length is known
2021-07-24 23:08:05 +02:00
71e17ba917
WIP: report active slip systems to DADF5
...
needs further work, currently an array of fixed length strings is
written while all single strings are of variable length type
2021-07-24 22:51:57 +02:00
a98ae267a0
option to initialize F_i
...
start simulation with eigenstrain. Works only for moderate
eigentstrains, reaching the plastic limit is most likely an issue.
2021-07-24 18:47:45 +02:00
b3f5e12232
using burgers vector of tw/tr system seems to make more sense here
...
otherwise twinning will not work in many cases.
Matching number is only required for nucleation of tw/tr
2021-07-24 18:37:25 +02:00
ae49920256
support single and double quotes in key value pairs also
...
escape characters not supported in double quotes
2021-07-24 17:40:27 +02:00
59d09d708e
string array support for attributes
2021-07-24 17:18:31 +02:00
eef7b8f0a9
nothing to select anymore
2021-07-24 15:16:30 +02:00
d87b10bfe7
symbolic names
2021-07-24 15:03:26 +02:00
db07ee2113
supported by recent compilers
2021-07-24 14:35:17 +02:00
f22f30e05d
same functionality as for 1D
2021-07-24 14:27:00 +02:00
d6ce721a25
need to check type of leaf
...
otherwise, using a [list] where a scalar is expected results in a crash,
not in a meaningful error message
2021-07-24 12:10:59 +02:00
931dc99557
not used
...
climb formulation was updated a while ago
2021-07-24 11:21:07 +02:00
d4ffc778c2
easier to read
...
removed comment regarding use of dot_state in kinetics_t(w/r). Data stored
in dotState is not reliable, FPI integrator for writes to it and Runge-Kutta
calls the dot state function at different time steps
2021-07-24 07:11:31 +02:00
527fd306e2
change of behavior
...
- gamma (state) increases monotoneously
- region of spontaneous annihilation is ignored in dipole formation
2021-07-23 22:25:06 +02:00
2a78174547
standard names in source code
2021-07-23 22:17:00 +02:00
c46813657f
better to understand
2021-07-23 21:56:34 +02:00
f96b0371ac
proper output name/format
2021-07-23 21:48:40 +02:00
6936ecb091
sl is the subscript for slip
2021-07-23 21:36:26 +02:00
a5c4e7232c
probably not needed
...
We remove blank spaces while converting to flow YAML.
2021-07-23 18:37:45 +02:00
c347688410
Merge remote-tracking branch 'origin/development' into YAML-improvements
2021-07-23 17:55:03 +02:00
ca8775e0d4
allow " " in YAML, follow yamllint.
2021-07-23 17:45:10 +02:00
d216e77ca6
default values for p/q are dangerous
2021-07-23 09:07:39 +02:00
2cc8612572
consistent variable names
2021-07-23 07:16:08 +02:00
f6378790f1
following python
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we might want to rename the whole module from 'lattice' to 'crystal'
2021-07-23 06:46:17 +02:00
f5af352644
whitespace adjustments
2021-07-23 00:09:51 +02:00
d682b477dd
following paper
2021-07-22 23:22:45 +02:00
85fd2e3fad
not needed
2021-07-22 23:15:20 +02:00
3f7043de74
standard name
2021-07-22 23:15:20 +02:00
7e27baacfe
missing conversion
2021-07-22 21:39:05 +02:00
bd9cae11a5
allow multi line scalar list items.
...
If a scalar list item has ',', the parser would consider it as a separator and not a part of the string
For the moment, this scalar item is enclosed with double quotes ""
In the next step, the flow parser should be able to use this quotes as an indicator for strings
2021-07-22 15:51:33 +02:00
a03aa97970
default name
2021-07-22 15:41:09 +02:00
4fab078d18
multinomial tested+simplified
2021-07-22 15:31:30 +02:00
d9aa638ad7
shorter
2021-07-22 15:11:38 +02:00
5ac592eb9e
initialize L_(i/p), L_(i,p)0
2021-07-22 12:31:10 +02:00
69cc0b528b
do calculation for initialization
2021-07-22 11:38:03 +02:00
aa03e59306
same statement, different syntax but silences gfortran runtime warning
...
with automated LHS, compiling in DEBUG mode (tested for mesh solver)
gives:
home/m/DAMASK/src/phase_mechanical.f90:1010:43: runtime error: signed integer overflow:
-9223372036854775808 - 1 cannot be represented in type 'integer(kind=8)'
2021-07-22 11:24:10 +02:00
5b66db8a39
only mechanics at the moment
...
will be extended, but most likely differently
2021-07-22 10:12:43 +02:00
eb834b635d
unify notation with grid
...
consistent style: Symbols, not descriptions.
also removed untested/unused loginc functionality. Once load cases are
written in YAML, we can introduce the scaling as in DAMASK_grid
2021-07-22 08:48:44 +02:00
173a5f8e55
less public/unneeded variables
2021-07-22 07:48:01 +02:00
574cfd7034
Merge remote-tracking branch 'origin/development' into more-flexible-L
2021-07-22 00:20:33 +02:00
de7ef43095
documenting/silencing gfortran
2021-07-21 23:49:24 +02:00
aace5d25a8
initialization needed
2021-07-21 23:19:41 +02:00
58a7921966
no need for temp, pack instead of reshape for 1D array
2021-07-21 22:45:04 +02:00
b817c620a3
let the computer count
2021-07-21 21:25:33 +02:00
23077fd58c
testing coordinates
...
I don't understand why this pattern exists (with w(2) = 3, w(3) = 2),
but it exists
2021-07-21 19:42:53 +02:00
5a04a1d661
let the computer do the counting
2021-07-21 19:41:14 +02:00
c56979e2ad
single source of truth
2021-07-21 18:47:19 +02:00
000007ba59
better test automatically
2021-07-21 18:06:37 +02:00
b1ba64e6af
understanding floating point precision
...
double can use 16 or 17 significant figures
- if the leading number is high (above 5 or so), only 16 figures are
significant.
- a trailing 1 is never significant
2021-07-21 18:04:50 +02:00
76572e4ca9
standard notation
2021-07-21 16:34:33 +02:00
e3e9dfdc60
following paper
2021-07-21 16:29:57 +02:00
8feeda6f05
phase_mechanical_elastic should store data related to elasticity
2021-07-21 16:23:21 +02:00
fc5237fa80
using central values
2021-07-21 15:46:38 +02:00
8259cb3cdc
notation as in paper
2021-07-21 15:03:28 +02:00
b2e94974ca
short names
2021-07-21 14:52:37 +02:00
f25dee4c3a
quad points updated and rounded based on literature values
2021-07-21 14:34:18 +02:00
df1fe39dc2
Merge remote-tracking branch 'origin/development' into write_ipdisplacements
2021-07-21 13:30:12 +02:00
9d349f8a7c
symbolic notation
2021-07-21 06:50:28 +02:00
b5bf1d525e
Merge remote-tracking branch 'origin/development' into more-flexible-L
2021-07-21 06:36:05 +02:00
6f19113072
L, P, F, etc. are second order tensors
2021-07-21 06:19:04 +02:00
b98819a36c
adjusting names
2021-07-20 18:29:21 +02:00
a919ac0aea
Merge branch 'write_ipdisplacements' of git.damask.mpie.de:damask/DAMASK into write_ipdisplacements
2021-07-20 15:35:48 +02:00
86d918367f
Round quadrature points
2021-07-20 15:34:13 +02:00
85735605f8
more flexibility for the L in the load case
...
Note that mixed boundary conditions for L introduce an ambiguity.
Consider:
L = [[1.0, x, x],
[ 0, 0, 0],
[ 0, 0, 0]]
P = [[x, 0, 0],
[x, x, x],
[x, x, x]]
What we need is F^(n+1)=F_dot^(n+1) x Delta_t, where F_dot^(n+1) is
F_dot^(n+1)_ij = L_ik F^n_kj.
So component F_11 has contributions from L_12 and L_13. We first assume
L_12=L_13=0 and then choose F^(n+1)_12 and F^(n+1)_13 to get
P_12=P_13=0. This implicitly gives a solution for L_12 and L_13, which
is however only one out of infinitely many.
2021-07-20 07:10:28 +02:00
03b7532cc5
numpy.MaskedArray behavior
2021-07-19 23:27:10 +02:00
1c1dc9383e
symbolic names
2021-07-19 22:30:20 +02:00
4a2e62fdb2
Merge branch 'development' into 'write_ipdisplacements'
...
# Conflicts:
# src/mesh/mesh_mech_FEM.f90
2021-07-19 17:19:40 +00:00
a654cd4fb1
To avoid fortran double variable truncation for quadrature points
2021-07-19 17:07:43 +02:00
97203ff551
document and keep definitions together
2021-07-18 23:30:30 +02:00
53b7aab29d
use ph,en access pattern
2021-07-18 09:48:49 +02:00
6ad6158bfb
(en)try is the name used in the DADF5 file
2021-07-18 09:44:52 +02:00
57ad308a7f
readable
2021-07-18 09:22:12 +02:00
d068f45aa0
avoid superflouos damage calculations
2021-07-17 15:25:00 +02:00
c109d5a37b
better have different physics separated
2021-07-17 14:06:48 +02:00
f9edeb40a5
descriptive names
2021-07-17 11:50:21 +02:00
e6d25294d3
separating functionality
2021-07-16 23:32:08 +02:00
fc735d6391
substate0 only needed for staggered state-stress integration
2021-07-16 23:19:48 +02:00
777620b800
polishing
2021-07-16 22:41:38 +02:00
594ad2c310
semi-separate handling of damage
2021-07-16 22:22:41 +02:00
2b24224c7e
more meaningful name
2021-07-16 20:52:41 +02:00
ed6b1be352
solver handles terminally ill
2021-07-16 20:43:08 +02:00
2a84aa7ae4
obvious, no need for comment
2021-07-16 20:32:21 +02:00
5f78f1753c
split up thermal
...
only for grid at the moment
2021-07-16 18:03:38 +02:00
3f0eafd640
first step towards separating of mechanics, thermal, and damage
2021-07-16 17:53:11 +02:00
013c4c0a92
common variable names
2021-07-16 10:31:40 +02:00
2f1fa8292b
unify style to majority of occurences
2021-07-16 10:30:45 +02:00
3830492791
Merge remote-tracking branch 'origin/development' into write_ipdisplacements
2021-07-15 17:34:44 +02:00
4d6a9a51ed
correct logic
2021-07-15 17:32:41 +02:00
94843becda
writing ip displacements (algorithm contain bugs)
2021-07-14 19:33:54 +02:00
766db0524f
Merge remote-tracking branch 'origin/Marc-start-material-at-0' into marc2021.2
2021-07-14 18:06:57 +02:00
05b319fbfb
easier to read
2021-07-14 06:33:04 +02:00
2ffa6cac70
Merge remote-tracking branch 'origin/development' into Marc-start-material-at-0
2021-07-14 06:15:46 +02:00
ce3b4d2a2a
Merge branch 'development' into YAML-fixes
2021-07-13 20:27:21 +02:00
45abca90c5
stricter
...
example of invalid YAML--> mechanical:{type: pass}
2021-07-12 22:17:02 +02:00
d2560ebb39
function should return either 'true' or 'false' and not bear the responsibility to throw errors
...
We were forcing every colon to indicate either key or key: value
2021-07-12 21:42:51 +02:00
df9a94422f
0-based indexing in MSC.Marc
...
inline with Python library and grid, still need to decide on mesh (neper
is 1-based)
2021-07-10 09:49:29 +02:00
136a4b1377
PETSc defines are rather complicated
...
now mpi_f08 can be used on newer PETSc installations if old MPI modules
are not exposed
2021-07-09 18:48:25 +02:00
637f78bd52
old name (for PETSc < 3.15)
2021-07-09 14:50:29 +02:00
3870a70a4e
HDF5 seems to use MPI (F90 style)
2021-07-09 12:37:39 +02:00
8e75e87ad9
Merge branch 'MPI_F08' into polishing-for-beta
2021-07-09 11:32:32 +02:00
c3e94cf1fe
Marc2021.2 is out!
2021-07-09 08:59:04 +02:00
f54bd8f3a9
correct capitalization
2021-07-08 17:56:49 +02:00
139f2c177a
use MPI_f08 if possible
...
most PETSc installations provide outdated MPI (f90 version)
MPI_COMM_WORLD is now of derived type (Fortran 08 style)
PETSC_COMM_WORLD is the plain integer (f90 style) alias.
Note that HDF5 is assumed to have f90 interfaces
2021-07-08 16:27:37 +02:00
4c3ff4bef4
consistent capitalization
2021-07-08 15:05:01 +02:00
58bc6e2ba6
avoid chained inclusions
2021-07-08 14:27:04 +02:00
69415d2e05
not needed
2021-07-08 12:30:00 +02:00
3c6c5d77e8
following paper
2021-07-06 22:58:18 +02:00
a13e02da44
easier to follow
2021-07-06 22:33:12 +02:00
cd9d704aae
bug fixes:
...
invalid material.yaml, detect such errors in future
2021-07-05 11:30:52 +02:00
f0a75d8d62
consistent capitalization
...
Capitals for pre processor macros to avoid clashes
2021-07-04 17:43:19 +02:00
6dc70fa4e7
not used anywhere
...
was only required for ductile damage
2021-07-04 08:51:53 +02:00
7daef03e65
new multiphyics notation
2021-07-03 22:50:14 +02:00
8acecc1306
preparing standard multiphysics notation
2021-07-03 22:41:34 +02:00
f69f61dcb7
avoid duplication
2021-07-03 22:30:06 +02:00
a0ffbc5f17
little polishing
...
- same names as for grid
- 'local' naming misleading here (probably for x_local etc also not a
good choice)
- following names in PETSc notation (https://www.mcs.anl.gov/petsc/petsc-current/docs/manualpages/DMPLEX/DMPlexGetPointLocal.html )
- using allocation with bounds to simplify access
- NOTE: The nodal coordinates are not what damask.Result expects except
for simple, 1 IP elements!
2021-07-02 23:49:06 +02:00
1516ded71b
Merge remote-tracking branch 'origin/development' into write_displacements
2021-07-02 23:07:51 +02:00
7745640393
consistently use prefix as modifier
2021-06-28 23:41:50 +02:00
f2a359bea1
relaxing tolerances
...
allowed for simplified cases (no temperature dependency/friction)
2021-06-28 23:28:41 +02:00
5973ef5b13
Merge remote-tracking branch 'origin/nonlocal-examples' into preparing-alpha4
2021-06-28 23:22:16 +02:00
6651656903
isoductile is not working
2021-06-28 23:13:56 +02:00
b1f4c06f9c
takeover from Christophs thesis
2021-06-26 13:25:13 +02:00
b322ed3e03
feauture to write nodal displacements to hdf5 file added
2021-06-25 20:46:21 +02:00
ab0e65c6bc
systematic names and sensible defaults
2021-06-25 15:12:54 +02:00
06e76c1a81
consistent default absolute tolerances
...
better use conservative values, users can easily relax if needed
2021-06-25 10:13:03 +02:00
a9f5dcfbf1
avoid allocate based on random value in sum_N_sl
2021-06-24 23:35:14 +02:00
106fec92d7
C is the common symbol
2021-06-24 19:14:19 +02:00
8f5a370388
bugfix: update compatibility for nonlocal
...
intent(out) resulted in setting nonlocal = .false.
now using plasticState%nonlocal consistently
2021-06-24 18:59:52 +02:00
f42157c076
consistent names
2021-06-24 16:31:07 +02:00
f834a1534e
simplified
2021-06-24 16:07:54 +02:00
12ca7428cf
cleaning
2021-06-24 15:25:43 +02:00
ae9a48c124
polishing
2021-06-24 15:23:24 +02:00
b4265149c8
simplified
2021-06-24 15:08:31 +02:00
95c9434a21
bugfix: enable local simulations
2021-06-24 15:01:32 +02:00
8c06e7a4ff
generic and extendable multiphysics notation
2021-06-24 14:49:09 +02:00
c49ba5419b
sign-transfer done right
2021-06-21 23:26:17 +02:00
4b82cb4c14
extra parameter needed
...
Hardening parameters determine rate of hardening in phenopowerlaw.
This flexibility is also needed in J2.
2021-06-21 23:22:51 +02:00
27431bd60c
avoid division by M gives better agreement with phenopowerlaw
2021-06-21 23:11:09 +02:00
ea4867770f
avoid error due to limited floating point accurary
2021-06-21 16:15:40 +02:00
38e4802867
3.15.1 works (3.15.0 has a bug)
2021-06-21 06:53:17 +02:00
0a22916aba
not a double subscript
2021-06-19 15:13:27 +02:00
8bba021fe1
Merge remote-tracking branch 'origin/development' into mesh_test
2021-06-18 19:23:20 +02:00
36bf68b336
Out of plane coordinates for 2D elements are updated with dummy values
2021-06-17 20:26:37 +02:00
b9d4217d86
permutationStar111 for 4th order integration is updataed
2021-06-16 14:58:26 +02:00
1bfbd30ae2
polishing
2021-06-15 19:53:05 +02:00
218e6a79a8
VTK image data is the appropriate type, not VTK rectilinear grid
...
FFTs require constant spacing in all three directions, this is
guaranteed by the vtkImageData but not by vtkRectilinearGrid
2021-06-15 19:02:26 +02:00
e10701b32a
easier to understand
2021-06-14 15:21:10 +02:00
5f01b076d2
This change makes the test work for GNU too
...
Probably something was uninitialized and GNU was accessing unallocated memory
2021-06-14 14:58:14 +02:00
c64f9eb805
hardcoding '3' is an issue for 2d simulations
2021-06-11 20:42:31 +02:00
3705f1d3a2
F,P, ... in loadcase are 2nd order tensors
2021-06-03 08:21:16 +02:00
6cd0d79c61
old merge not reflected
2021-06-02 14:08:12 +02:00
39c2506b8d
Merge branch 'Fortran-cleaning' into 'development'
...
Separating functionality
See merge request damask/DAMASK!396
2021-06-02 09:24:47 +00:00
fada9a7f6c
more meaningful order
2021-06-01 17:05:13 +02:00
5d0fc4fca3
more meaningful order
...
and intent(out) variables for read are at the front
2021-06-01 16:46:24 +02:00
569b1fc563
not needed (duplicated code)
2021-06-01 11:09:02 +02:00
6f9e521cdb
Merge branch 'HDFgeometryupdate' into 'development'
...
HDF geometry update
See merge request damask/DAMASK!395
2021-06-01 08:01:53 +00:00
431416b5ba
Separating functionality
...
lattice should become a module with static data and functions
2021-06-01 07:56:55 +02:00
91015fd07c
write out undeformed configuration
2021-05-31 19:41:22 +02:00
650fbd7509
Initial nodal and ip coordinates added to the HDF5 output file
2021-05-31 15:01:42 +02:00
718880f177
Initial nodal and ip coordinates added to the HDF5 output file
2021-05-31 14:09:11 +02:00
Martin Diehl