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
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
Martin Diehl