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
Martin Diehl