Martin Diehl
696da9865b
Merge branch 'development' into misc-improvements
2020-07-13 13:56:04 +02:00
Martin Diehl
dbca47f113
better handling of corner cases
...
copy and paste from python code
2020-07-13 12:38:21 +02:00
Sharan Roongta
0067b44a0d
wrong logic
2020-07-12 18:38:52 +02:00
Sharan Roongta
70fb68d224
cleaning
2020-07-12 16:44:26 +02:00
Sharan Roongta
debe096a53
results placed where it belongs; cleaning
2020-07-12 15:22:40 +02:00
Sharan Roongta
5602abe690
generic interfaces makes sense
2020-07-12 13:27:28 +02:00
Sharan Roongta
3a5e3b36c1
better function name, crystallite should not know which physics is involved
2020-07-12 13:04:26 +02:00
Sharan Roongta
77567bd398
To circumvent Marc internal compiler error
2020-07-10 23:41:56 +02:00
Sharan Roongta
3563bce6cb
better
2020-07-10 19:17:54 +02:00
Sharan Roongta
4145ac90d7
more cleaning
2020-07-10 18:19:07 +02:00
Sharan Roongta
80fb571fb4
common functions to be clubbed together
2020-07-10 17:10:23 +02:00
Sharan Roongta
957c51fb07
cleaner
2020-07-10 15:13:56 +02:00
Sharan Roongta
fd7110ce45
probably a more readable structure
2020-07-10 14:59:07 +02:00
Sharan Roongta
bc1d73c03b
trying new structure for all constitutive modules
2020-07-09 01:49:48 +02:00
Sharan Roongta
b5a10f2386
sources and kinematics modules under submodules
2020-07-09 01:01:08 +02:00
Martin Diehl
defe0a8dd8
coordinates are stored in fixed format
...
width of numers is fixed, if negative numbers are given there is no
space
2020-07-08 10:21:13 +02:00
Sharan Roongta
48b42debe0
redundant
2020-07-03 20:55:05 +02:00
Martin Diehl
5688fc5698
need to do initialization first
2020-07-03 18:12:40 +02:00
Martin Diehl
432609ec14
cleaning
2020-07-03 16:45:11 +02:00
Martin Diehl
76f0c5fc5e
Merge branch 'development' into YAML-compatible-debug
2020-07-03 16:19:38 +02:00
Philip Eisenlohr
d4f97f8346
Merge branch 'misc-improvements' into 'development'
...
Misc improvements
See merge request damask/DAMASK!184
2020-07-02 21:52:47 +02:00
Sharan Roongta
5a423103a0
typo
2020-07-02 01:28:53 +02:00
Sharan Roongta
699af6a3f1
avoid variable name conflict with a module name
2020-07-02 01:25:24 +02:00
Sharan Roongta
2056b4223a
better name
2020-07-01 23:01:37 +02:00
Sharan Roongta
02ee64bce4
make use of submodule property
2020-07-01 22:51:21 +02:00
Sharan Roongta
dda2f2cf22
defined locally
2020-07-01 22:39:44 +02:00
Sharan Roongta
c5bd45bf57
use submodule property; simplifying
2020-07-01 22:20:22 +02:00
Sharan Roongta
73f0fa3aba
further simplification
2020-07-01 21:22:05 +02:00
Sharan Roongta
8627739963
simplifying
2020-07-01 20:46:26 +02:00
Sharan Roongta
a7d26cd1c3
Merge branch 'YAML-compatible-debug' of magit1.mpie.de:damask/DAMASK into YAML-compatible-debug
2020-07-01 19:54:44 +02:00
Sharan Roongta
b0ce55de7a
store debug options once
2020-07-01 19:54:14 +02:00
Martin Diehl
08fa40a7ae
simplified
2020-07-01 19:41:46 +02:00
Sharan Roongta
57e4d01a6b
Merge branch 'development' into YAML-compatible-debug
2020-07-01 13:40:56 +02:00
Sharan Roongta
0b2d62e98d
polishing
2020-06-29 17:05:11 +02:00
Martin Diehl
640bc7b190
[skip ci] polishing
2020-06-29 15:09:13 +02:00
Sharan Roongta
14a4dc5184
Merge branch 'YAML-compatible-numerics' into YAML-compatible-debug
2020-06-27 21:48:59 +02:00
Sharan Roongta
77e7e3d3c4
polishing
2020-06-26 20:12:05 +02:00
Sharan Roongta
6f9f494654
minor polishing
2020-06-26 12:22:33 +02:00
Martin Diehl
130cf7fe2e
spelling mistakes in documentation
2020-06-26 11:44:17 +02:00
Sharan Roongta
6e6e4dcdfd
typo during resolve merge conflict
2020-06-25 15:15:48 +02:00
Sharan Roongta
78bf8b0ab7
bugfix: close file before returning
2020-06-25 11:25:39 +02:00
Sharan Roongta
78b6b3ecdb
Merge branch 'development' into YAML-compatible-numerics
2020-06-25 11:02:54 +02:00
Sharan Roongta
e155bef9a5
better names; polishing
2020-06-24 17:38:39 +02:00
Sharan Roongta
445d8b4f74
sanity checks
2020-06-24 17:09:15 +02:00
Sharan Roongta
be84561e2e
num structure replicated; polishing
2020-06-24 16:48:51 +02:00
Sharan Roongta
434bfffc46
hard coding of tolerance variables in solvers not correct
2020-06-24 16:39:09 +02:00
Sharan Roongta
6062cc43c4
extending num structure to other modules; hard coding of tol variables was incorrect
2020-06-24 16:37:30 +02:00
Sharan Roongta
692fc98fd5
'num' structure for data to avoid multiple reading of parameters
2020-06-24 16:35:47 +02:00
Sharan Roongta
fdf7887b47
handle default internally
2020-06-24 11:56:21 +02:00
Martin Diehl
e2a0e98267
small polishing
2020-06-23 11:06:41 +02:00
Martin Diehl
d4efadb333
should be availabe outside of this module
2020-06-21 10:03:52 +02:00
Martin Diehl
4c5939ef23
small polishing
2020-06-20 22:51:00 +02:00
Martin Diehl
cf1cfb0cd9
Merge branch 'development' into misc-improvements
2020-06-20 21:43:28 +02:00
Sharan Roongta
7c4afe06c9
less generic variables
2020-06-19 03:56:16 +02:00
Sharan Roongta
853f73400e
tried to access root pointer before initialization
2020-06-19 01:05:44 +02:00
Sharan Roongta
9a03a6d13a
exception for marc
2020-06-18 19:31:08 +02:00
Sharan Roongta
0cf06a77d4
bugfix
2020-06-18 18:14:53 +02:00
Sharan Roongta
eb71c1033d
extended for FEM
2020-06-18 17:52:25 +02:00
Sharan Roongta
4942304ee8
extended for grid
2020-06-18 17:43:25 +02:00
Sharan Roongta
76614ef278
structure update for constitutive laws
2020-06-18 17:23:05 +02:00
Sharan Roongta
c987f55f69
DAMASK structure updated; define debug parameters when used by a module
2020-06-18 16:40:39 +02:00
Sharan Roongta
4e60d8e133
begin cleaning of debug
2020-06-18 16:05:54 +02:00
Franz Roters
e959aaab5d
Merge branch 'Marc-no-pingpong' into 'development'
...
Marc no pingpong
See merge request damask/DAMASK!180
2020-06-18 15:29:21 +02:00
Sharan Roongta
cdb4a11a2e
proper error message; Comments starting point is standardized
2020-06-18 00:17:43 +02:00
Sharan Roongta
0fc482585b
used for both grid & mesh; polishing
2020-06-17 23:00:03 +02:00
Sharan Roongta
ac2539b305
further cleaning of numerics.f90
2020-06-17 20:46:03 +02:00
Sharan Roongta
d3f9e9f115
polishing
2020-06-17 18:02:22 +02:00
Sharan Roongta
d4d29ff376
cleaning: comments added
2020-06-17 17:19:21 +02:00
Sharan Roongta
f6355d199a
better as local variables
2020-06-17 16:47:13 +02:00
Sharan Roongta
e455dd4b9a
sanity checks
2020-06-17 15:21:51 +02:00
Sharan Roongta
1e2df54bb0
Not used anywhere
2020-06-17 13:38:14 +02:00
Sharan Roongta
45f1e3a986
further removal of public variables
2020-06-17 13:31:21 +02:00
Martin Diehl
62384b5836
bugfix: invalid description/unit
2020-06-16 23:43:15 +02:00
Martin Diehl
829896390c
hopefully not needed any more
2020-06-16 23:37:24 +02:00
Sharan Roongta
7f0c2d3825
further removal of public variables
2020-06-16 20:49:58 +02:00
Sharan Roongta
5cd2be0569
less global variables
2020-06-16 19:15:01 +02:00
Sharan Roongta
19c44d5e97
Read numerics.yaml once
2020-06-16 18:47:19 +02:00
Sharan Roongta
c19ed21468
Begin to update DAMASK structure
2020-06-16 17:53:14 +02:00
Sharan Roongta
eb98649793
compilation order matters
2020-06-16 17:50:35 +02:00
Sharan Roongta
846a50c871
Simplified logic; treating defaults correctly
2020-06-16 15:57:16 +02:00
Martin Diehl
e0d4ee44a3
better name
2020-06-16 13:59:59 +02:00
Martin Diehl
753fbb70fd
cleaning
2020-06-16 13:55:32 +02:00
Martin Diehl
06f6e15123
avoid public variables
2020-06-16 07:05:31 +02:00
Martin Diehl
54aa5a67ff
polishing
2020-06-16 06:41:53 +02:00
Martin Diehl
0a9902818c
polishing
2020-06-16 06:34:12 +02:00
Martin Diehl
e952ab7127
bugfix
...
do not access unitinialized memory
2020-06-15 23:12:49 +02:00
Martin Diehl
e5c9380bac
cleaning
2020-06-11 08:52:22 +02:00
Martin Diehl
579ced6a52
removed global public variables
2020-06-11 08:44:24 +02:00
Martin Diehl
b353129ba8
cleaning
2020-06-11 08:36:21 +02:00
Martin Diehl
82326ed812
drop support for ping-pong scheme
2020-06-11 08:22:25 +02:00
Martin Diehl
5c544a6e4e
bugfix
...
- IO_read sanities files such that they end with EOL (unless 0 byte)
- IO_readline simply counts EOL to determine number of lines
2020-06-05 20:58:36 +02:00
Martin Diehl
9cd9ee71c5
off-by-one issue fixed
2020-06-05 14:44:31 +02:00
Martin Diehl
a9e0e93213
need to handle case of zero length file when splitting
2020-06-05 13:38:40 +02:00
Martin Diehl
512e54a7ee
before we forget ...
2020-06-02 17:34:58 +02:00
Martin Diehl
742b3718ec
using iostat solved the issue for ifort
...
but for a zero length file, ifort returns -1
2020-06-02 10:09:19 +02:00
Martin Diehl
d31417b050
Ifort can not handle 0-length files
...
Not sure whether this is a bug or not:
https://software.intel.com/en-us/forums/intel-fortran-compiler/topic/856789
2020-06-02 09:31:26 +02:00
Martin Diehl
79c17ec407
use names known from python
2020-06-02 07:57:19 +02:00
Martin Diehl
f84e5aaaf9
bugfix (do not keep EOL in last string)
...
simplified further
2020-06-02 07:39:27 +02:00
Martin Diehl
ac9fddd9e9
Merge remote-tracking branch 'origin/development' into misc-improvements
2020-06-02 00:12:50 +02:00
Martin Diehl
37d7e593e8
correct counting of lines
...
counts like "wc -l" either with or without EOL in last line
2020-06-01 22:09:28 +02:00
Martin Diehl
2badf257fc
same information but shorter
2020-06-01 21:36:36 +02:00
Martin Diehl
431284aa95
not needed
2020-06-01 18:23:01 +02:00
Martin Diehl
44fc65b812
Merge branch 'development' into FEM-PETSC_3.11+
2020-06-01 15:19:37 +02:00
Martin Diehl
1885a701fa
nothing to debug here
2020-06-01 15:19:30 +02:00
Martin Diehl
a5bd0958a1
polishing
2020-05-31 23:50:06 +02:00
Martin Diehl
733208a83c
Merge branch 'development' into misc-improvements
2020-05-28 19:38:18 +02:00
Sharan Roongta
8ae7f8f991
polishing
2020-05-26 20:56:53 +02:00
Sharan Roongta
9732726cfa
editorial changes
2020-05-26 11:46:28 +02:00
Martin Diehl
e8992e7b72
documentation
2020-05-25 22:09:46 +02:00
Martin Diehl
eced5d0a3c
bugfixes for date reporting
2020-05-25 20:13:57 +02:00
Martin Diehl
248f199a7b
track creation time
2020-05-25 18:51:10 +02:00
Sharan Roongta
3f221ab5ed
polishing
2020-05-25 12:54:43 +02:00
Martin Diehl
376e45d7bf
don't even start to compile
2020-05-23 13:55:00 +02:00
Sharan Roongta
677e081937
YAML related errors
2020-05-21 21:03:39 +02:00
Sharan Roongta
873cb80edd
access issue resolved
2020-05-21 20:52:15 +02:00
Sharan Roongta
72fdb639f0
YAML parser
2020-05-21 20:41:40 +02:00
Martin Diehl
23b1381eaf
give credit
2020-05-21 11:30:25 +02:00
Martin Diehl
d8764f2b8f
status is not the first argument
2020-05-16 18:32:30 +02:00
Martin Diehl
ae20ab8d42
more reasonable name
2020-05-16 17:05:03 +02:00
Martin Diehl
a279785149
Merge branch 'development' into misc-improvements
2020-05-16 17:01:48 +02:00
Martin Diehl
1ccd3aab89
suppress warnings
...
the compiler does not know that IO_error terminates the program
2020-05-15 22:33:38 +02:00
Martin Diehl
661604ff94
more error checking
2020-05-14 06:59:30 +02:00
Martin Diehl
530623a2b3
function was only renamed in PETSc 3.12
2020-05-13 13:15:37 +02:00
Martin Diehl
f2d1343cdf
need to select the whole mesh
2020-05-13 12:58:39 +02:00
Karo
90f93d2399
Merge branch 'integrate-lambert' into 'development'
...
Integrate lambert
See merge request damask/DAMASK!166
2020-05-12 23:36:08 +02:00
Franz Roters
24c2e5ba61
Merge branch 'YAML-Prerequisites' into 'development'
...
Yaml prerequisites
See merge request damask/DAMASK!167
2020-05-12 08:59:46 +02:00
Martin Diehl
72c835a554
not used
2020-05-11 16:00:53 +02:00
Sharan Roongta
620154a1a8
not needed
2020-05-11 14:00:19 +02:00
Martin Diehl
5a94218d23
fixes error:
...
[0]PETSC ERROR: Object is in wrong state
[0]PETSC ERROR: Cannot set coordinates until after DMDA has been setup
2020-05-11 08:02:34 +02:00
Martin Diehl
4340d30f05
Merge branch 'development' into misc-improvements
2020-05-08 12:26:35 +02:00
Martin Diehl
4f8c7ea2d5
Merge branch 'development' into YAML-Prerequisites
2020-05-07 23:11:38 +02:00
Martin Diehl
1610a6e12a
editorial changes
2020-05-07 23:10:27 +02:00
Sharan Roongta
0c70f1a54f
polishing
2020-05-07 21:13:25 +02:00
Martin Diehl
9553a7838b
needs to be logical
2020-05-06 22:15:09 +02:00
Martin Diehl
0f2447d413
restart does not overwrite existing results
2020-05-06 21:48:55 +02:00
Martin Diehl
a5b78dc30a
potential glitch
2020-05-05 11:20:16 +02:00
Martin Diehl
4dcec8b309
not needed
2020-05-05 11:18:58 +02:00
Martin Diehl
6e99956b58
Merge branch 'development' into misc-improvements
2020-05-05 09:22:53 +02:00
Martin Diehl
76d37b5bcd
flux debug would need temporary variable
2020-05-03 20:38:25 +02:00
Martin Diehl
520a484df2
reasonable name
2020-05-03 13:09:49 +02:00
Martin Diehl
2a1badb548
not needed
2020-05-03 12:04:57 +02:00
Martin Diehl
53de95798a
separated local and nonlocal part of dotState
2020-05-03 11:49:16 +02:00
Martin Diehl
6f627892bc
not needed
2020-05-03 11:47:23 +02:00
Martin Diehl
8995faae8b
WIP: part of dotState should be in deltaState
2020-05-03 10:49:36 +02:00
Sharan Roongta
00deddac44
initialization needed
2020-05-02 23:17:53 +02:00
Sharan Roongta
47f85402c4
using function makes it more readable
2020-05-02 23:03:11 +02:00
Martin Diehl
c7a77ebc26
Merge branch 'development' into integrate-lambert
2020-05-02 09:21:42 +02:00
Sharan Roongta
815608ac42
polishing
2020-04-30 21:34:11 +02:00
Sharan Roongta
10710bc446
using pointers makes finalize general for GNU and Intel
2020-04-30 21:29:59 +02:00
Martin Diehl
ad312201dd
keep order
2020-04-29 14:53:27 +02:00
Martin Diehl
d0dcfedb47
no extra function needed
2020-04-29 14:52:18 +02:00
Martin Diehl
ce9bdc50a4
common variable names
2020-04-29 14:46:58 +02:00
Martin Diehl
5a4a7393b9
statements belong together
2020-04-28 19:17:34 +02:00
Martin Diehl
81b3dc74d5
default value needed (fcc/bcc)
...
thanks to Richard (TU Delft) and Vitesh for reporting
2020-04-28 19:07:17 +02:00
Martin Diehl
20b604a334
finalize does not work for gfortran
2020-04-28 11:22:09 +02:00
Martin Diehl
d99c05860e
FEM is now Mesh
2020-04-28 10:35:43 +02:00
Martin Diehl
9565f15415
clearer description
2020-04-28 10:30:03 +02:00
Martin Diehl
f3be26ffa2
long error and warning functions at the end of public methods
2020-04-28 10:05:36 +02:00
Martin Diehl
f2164a5bd3
simplified
...
openMP is not used here ...
2020-04-27 13:40:22 +02:00
Martin Diehl
9750f267c8
missing initialization
...
can lead to infinite loops for no 'ping pong' (MSC.Marc)
2020-04-27 13:39:32 +02:00
Martin Diehl
9671a632b5
compare floats with tolerances
2020-04-26 14:58:07 +02:00
Martin Diehl
0effa71276
cleaning
...
large alias lists complicate things
2020-04-26 08:36:16 +02:00
Martin Diehl
7ec1ae977e
new names
...
spectral => grid
FEM => mesh
because there are FEM solvers for both discretizations. old names will
be available for a certain time
2020-04-25 09:56:51 +02:00
Sharan Roongta
ca6aa4bcd1
child type would inherit procedures from parent type
2020-04-24 16:50:42 +02:00
Martin Diehl
49963b9f04
Merge branch 'development' into unified-RK4-RKCK45
2020-04-24 06:29:51 +02:00
Sharan Roongta
7fe2a52b65
better logic for finalization
2020-04-23 17:10:33 +02:00
Franz Roters
289808875c
Merge branch 'state-integration-cleaning' into 'development'
...
State integration cleaning
See merge request damask/DAMASK!155
2020-04-23 13:38:37 +02:00
Sharan Roongta
11c4ff7787
finalization error
2020-04-22 16:49:31 +02:00
Sharan Roongta
6a0a8f1d27
Fortran syntax check showed an error
2020-04-22 15:51:05 +02:00
Martin Diehl
d61f302305
no need for separate file
2020-04-22 15:34:47 +02:00
Sharan Roongta
c4bcd3b430
Functions needed to store and read yaml data
2020-04-22 14:59:23 +02:00
Sharan Roongta
b9fec2a4cf
Public functions required
2020-04-22 12:23:09 +02:00
Martin Diehl
e06251e53e
proper doxygen style
2020-04-19 14:20:34 +02:00
Martin Diehl
064f4d9d9d
polishing
2020-04-17 13:18:20 +02:00
Martin Diehl
328dcf0101
polishing
2020-04-17 11:58:03 +02:00
Martin Diehl
cf53e1e8e6
bugfix: wrong logic for RK and source state
2020-04-17 11:55:43 +02:00
Martin Diehl
a51d27858e
polishing
2020-04-17 11:53:55 +02:00
Martin Diehl
65c3831add
polishing
2020-04-17 10:17:00 +02:00
Martin Diehl
7fffa26d7f
bugfix: size depends on shape
2020-04-17 10:04:10 +02:00
Martin Diehl
667d371f2e
avoid code duplication
2020-04-17 08:24:35 +02:00
Martin Diehl
2ad5bfbc3b
preparing modularization
2020-04-17 08:17:32 +02:00
Martin Diehl
84d6521183
Merge branch 'development' into state-integration-cleaning
2020-04-17 07:46:40 +02:00
Martin Diehl
a4c52ec1fa
extra variable not needed
2020-04-15 21:56:20 +02:00
Philip Eisenlohr
2a6132b793
Merge branch 'polish-homogenization' into 'development'
...
Polish homogenization
See merge request damask/DAMASK!158
2020-04-15 16:27:15 +02:00
Martin Diehl
6e48585de1
prefix for local variables not needed
2020-04-15 13:09:05 +02:00
Martin Diehl
ae95a96c88
better readable
2020-04-15 08:53:25 +02:00
Karo Sedighiani
03aa6f9c80
Merge branch 'vectorize_rotation' into development
2020-04-14 19:34:11 +02:00
Martin Diehl
c7e6277758
not needed
...
https://stackoverflow.com/questions/19687233
2020-04-14 15:34:38 +02:00
Martin Diehl
bf970bb146
2 space indentation
2020-04-14 09:49:03 +02:00
Martin Diehl
9d831cf268
not needed as module variable
2020-04-14 09:43:43 +02:00
Martin Diehl
912c064b57
indicate read-only public variables
2020-04-14 09:38:48 +02:00
Martin Diehl
0de4520580
directly calculate subF
2020-04-14 08:24:28 +02:00
Martin Diehl
0894886744
can be calculated when needed
2020-04-14 07:57:25 +02:00
Martin Diehl
d616c1dda8
better use explicit arguments
2020-04-14 07:45:39 +02:00
Martin Diehl
95e41e0b3f
not needed (just linear interpolation)
2020-04-14 07:22:30 +02:00
Martin Diehl
3bfa2d679c
simpler/correct logic for eu2om
2020-04-11 11:36:37 +02:00
Martin Diehl
a6d1e02b32
LAPACK calls the unblocked versions for our small matrices
...
so a work that holds exactly the data seems to be the best choice
2020-04-10 23:54:38 +02:00
Martin Diehl
1d5b1a17cd
same style for plastic and source
2020-04-10 19:36:29 +02:00
Martin Diehl
399a0f1b66
store information about state size only once
2020-04-10 18:53:59 +02:00
Martin Diehl
b375af83a3
bugfix for issue introduced in last merge
2020-04-10 15:52:54 +02:00
Martin Diehl
6082f3c1aa
Merge branch 'development' into state-integration-cleaning
2020-04-10 13:20:38 +02:00
Martin Diehl
a2e70612ff
interface checking for LAPACK
2020-04-10 12:52:27 +02:00
Martin Diehl
ccf62ede52
bugfix for Cubochoric
...
forward and backward mappings are different
2020-04-08 11:41:42 +02:00
Sharan Roongta
bb03483bb7
Merge branch 'MiscImprovements2' into development
2020-04-04 23:50:15 +02:00
Franz Roters
8631653fde
Merge remote-tracking branch 'remotes/origin/memory-efficient-state-storage' into development
2020-04-03 15:57:05 +02:00
Franz Roters
5e9ff7947b
[skip ci] plastic_dotstate always before source_dotstate
2020-04-03 14:01:35 +02:00
Martin Diehl
f174dd6aa7
PETSc 3.13 is out
...
grid solver still works, mesh solver is still broken
2020-04-02 09:50:02 +02:00
Martin Diehl
565cf8239f
can be done in parallel
2020-04-02 09:29:58 +02:00
Martin Diehl
d9806cb7f3
do not clutter with nonlocal checks
2020-04-02 00:23:59 +02:00
Martin Diehl
3a4bb59057
no need to store the same information multiple times
2020-04-01 18:58:48 +02:00
Martin Diehl
d0d963a2cc
set independent of number of slip systems
2020-04-01 17:58:50 +02:00
Martin Diehl
cf5fcf389b
phase is a property of the element
...
and we have no homogenization for nonlocal
2020-04-01 17:57:26 +02:00
Martin Diehl
70dd06c4ec
constitutive should handle state jump alone
2020-04-01 14:42:38 +02:00
Martin Diehl
b5efaa08a4
use already known mappings
2020-04-01 13:10:16 +02:00
Martin Diehl
5af53f0be7
nonlocal is a property of the phase
2020-04-01 11:30:01 +02:00
Martin Diehl
97e89f3f88
nonlocal can run in local mode
2020-04-01 11:09:30 +02:00
Martin Diehl
cde8c65bd1
better store data locally
2020-04-01 11:00:55 +02:00
Martin Diehl
79012c9ffb
not needed
2020-04-01 10:00:12 +02:00
Martin Diehl
b996b6c42e
merge functionality
2020-04-01 09:56:59 +02:00
Martin Diehl
ce61606c0b
not needed
2020-04-01 09:34:49 +02:00
Martin Diehl
079596f7cd
unix standard 0/.false. = OK, 1/.true. = not OK
2020-04-01 09:27:09 +02:00
Martin Diehl
6eee8f34ac
homogeneous mesh
2020-04-01 09:01:03 +02:00
Martin Diehl
d50d55cef3
avoid public variables
2020-04-01 08:54:20 +02:00
Martin Diehl
ec53e4c318
avoid writing to public variable crystallite_todo
2020-04-01 08:39:49 +02:00
Martin Diehl
6b11d43842
handle error checking centrally
2020-04-01 08:02:08 +02:00
Martin Diehl
9e926f1545
centralize test for error
2020-04-01 07:41:55 +02:00
Martin Diehl
570c042100
update of dependent state always in conjunction with state integration
2020-04-01 07:18:37 +02:00
Martin Diehl
54e3455bd4
RKCK45 store intermediate state only per point
2020-04-01 07:10:02 +02:00
Martin Diehl
6bfa51c307
LHS allocation does not work for pointers
2020-04-01 07:02:23 +02:00
Martin Diehl
e46220cd8a
OMP bugfix for FPI integrator, memory-efficient RK4
2020-03-31 22:02:53 +02:00
Martin Diehl
9c95ce36f4
automatic LHS (re)-allocation does not work for pointers
...
group_float has pointers, not allocatables
2020-03-31 20:57:09 +02:00
Martin Diehl
e818dfdb3e
not used anymore
2020-03-31 20:42:51 +02:00
Martin Diehl
20a3ebecea
Merge branch 'state-integration-one-loop' into memory-efficient-state-storage
2020-03-31 20:29:01 +02:00
Martin Diehl
e810b6b23b
not needed here
2020-03-31 12:39:23 +02:00
Martin Diehl
00be291fa0
todo will be reset after state integration
2020-03-31 12:14:54 +02:00
Martin Diehl
2de4b87c61
bugfix for FPI: loop over sources!
...
no memory waste for adaptive Euler
2020-03-31 11:24:13 +02:00
Martin Diehl
5b29af8473
clearer
2020-03-31 10:16:14 +02:00
Martin Diehl
505c1432b1
no need for temp storage
2020-03-31 10:12:25 +02:00
Martin Diehl
2cc0c746d3
no variable needed
2020-03-31 10:07:01 +02:00
Martin Diehl
28dadb4422
no need to check multiple times
2020-03-31 09:49:41 +02:00
Martin Diehl
604bcd1229
memory efficient FPI state integrator
2020-03-31 09:38:08 +02:00
Martin Diehl
18f60a94a9
one variable suffices
2020-03-31 09:04:08 +02:00
Martin Diehl
c0d03a8c26
not needed
2020-03-31 08:37:34 +02:00
Martin Diehl
a7b602f4ca
Merge branch 'development' into state-integration-one-loop
2020-03-31 08:35:07 +02:00
Martin Diehl
9507101969
can be done in one loop
2020-03-31 08:33:35 +02:00
Martin Diehl
5f2759c03c
no need to check for converged
2020-03-31 08:23:38 +02:00
Martin Diehl
2080749189
does not change during the iteration
2020-03-31 08:09:41 +02:00
Franz Roters
369682aa03
Merge branch 'fix-RK4' into 'development'
...
Fix rk4
See merge request damask/DAMASK!150
2020-03-30 20:05:09 +02:00
Martin Diehl
81c8ffe5c1
integrate into the same loop
2020-03-30 14:16:23 +02:00
Martin Diehl
28cf06ca98
extra loop not needed
2020-03-30 14:13:04 +02:00
Martin Diehl
7eeb5db15f
intention clearer
...
slip/twin/trans happens in untwinned/untransformed volume, shear banding
is independent of that
2020-03-29 22:41:47 +02:00
Martin Diehl
11e58bcc2f
not needed
...
why debugging allocate?
2020-03-29 22:37:48 +02:00
Martin Diehl
9c90aa5acb
polishing
2020-03-29 20:07:09 +02:00
Martin Diehl
2a37acfe5e
store data where it is needed
2020-03-29 20:04:51 +02:00
Martin Diehl
ba5538516c
simplified
2020-03-29 20:04:24 +02:00
Martin Diehl
08ad9d1d57
was mixed up
2020-03-29 19:18:06 +02:00
Martin Diehl
b6596a0310
compiler can do the counting
2020-03-29 19:17:24 +02:00
Martin Diehl
7b7ac294ca
volatile seems to make sense here
...
the value can be changed surprisingly
2020-03-29 19:13:29 +02:00
Martin Diehl
cff62219b6
Merge branch 'development' into adaptive-euler-substate0
2020-03-27 14:43:55 +01:00
Martin Diehl
75fff766e1
not needed anymore
2020-03-26 22:02:28 +01:00
Martin Diehl
fdbbb94aac
takeover from RKCK45
2020-03-26 21:46:28 +01:00
Martin Diehl
c490b4bea4
standard names
2020-03-26 20:19:05 +01:00
Martin Diehl
adbf6739a9
Merge branch 'Adaptive-Euler-one-loop' into RKCK45-one-loop
2020-03-26 10:56:51 +01:00
Martin Diehl
fe8ee825d6
bugfix: F, not Fp for explicit nonlocal
2020-03-26 10:52:10 +01:00
Martin Diehl
8725c2ceba
Merge remote-tracking branch 'origin/development' into Adaptive-Euler-one-loop
2020-03-26 10:49:34 +01:00
Martin Diehl
a4674a6461
whitespace adjustments
2020-03-25 20:55:37 +01:00
Martin Diehl
3ce8902245
no need to split up
2020-03-25 20:47:10 +01:00
Martin Diehl
aa2d440107
finally one loop left
2020-03-25 20:37:37 +01:00
Martin Diehl
599de26dad
further integration
2020-03-25 19:44:51 +01:00
Martin Diehl
939d2af1d9
bugfix: explicit nonlocal requires F, not Fe
2020-03-25 18:58:58 +01:00
Martin Diehl
9900bf0be7
Merge branch 'FPI-one-loop' into RKCK45-one-loop
2020-03-25 18:56:51 +01:00
Martin Diehl
2d5d48288c
bugfix, related making nonlocal state update explicit
2020-03-25 13:20:14 +01:00
Martin Diehl
ddef241dcc
Merge branch 'FPI-one-loop' into Euler-one-loop
2020-03-25 13:19:42 +01:00
Martin Diehl
a6f94efa51
bugfix, introduced when making nonlocal explicit
2020-03-25 13:17:48 +01:00
Martin Diehl
86abba477a
use same loop
2020-03-25 11:27:03 +01:00
Martin Diehl
b54a109d99
do plasticState and sourceState at once
2020-03-25 11:20:39 +01:00
Martin Diehl
652846cdc9
no need for extra loop
2020-03-25 11:16:26 +01:00
Martin Diehl
67f64cf7e1
correct iteration skipping
2020-03-25 11:13:46 +01:00
Martin Diehl
32b9a5ab15
all in one loop
2020-03-25 11:07:47 +01:00
Martin Diehl
9a188784e2
no need for an extra loop
2020-03-25 10:54:17 +01:00
Martin Diehl
02774a89d9
2 space indentation
2020-03-25 10:33:41 +01:00
Martin Diehl
52ca7cc43c
only one stateJump per integration
2020-03-25 10:27:55 +01:00
Martin Diehl
2dd3ccdad1
no need to transpose
2020-03-25 10:22:21 +01:00
Martin Diehl
8f6dc054d0
move up the nonlocal skip
2020-03-24 22:25:40 +01:00
Martin Diehl
e7c585a02e
loop order that allows more memory efficient code
2020-03-24 20:47:41 +01:00
Martin Diehl
66aa20ad39
extra check for nonlocal needed
2020-03-24 20:35:27 +01:00
Martin Diehl
0740c9f339
dot state in loop
2020-03-24 20:33:26 +01:00
Martin Diehl
44e24a9c4f
merging into one loop
2020-03-24 20:25:29 +01:00
Martin Diehl
eb6fe8a3a2
merge into one loop
2020-03-24 16:14:14 +01:00
Martin Diehl
369ea31a4b
name unification for simple copy and paste
2020-03-24 15:02:55 +01:00
Martin Diehl
93abf2b6d8
this SEEMS to be the way how it was planned
2020-03-24 13:06:29 +01:00
Martin Diehl
424fcabb90
move into the same loop
2020-03-24 12:54:31 +01:00
Martin Diehl
871241e31b
first round of loop removal
2020-03-24 12:43:41 +01:00
Martin Diehl
b88ffb8d4f
converged(g,i,e) matters only for FPI
2020-03-24 12:30:43 +01:00
Martin Diehl
d16af3bfb3
one loop for Euler integrator
2020-03-24 12:19:36 +01:00
Martin Diehl
d45f1f1c6f
further integration into one loop
2020-03-24 11:37:00 +01:00
Martin Diehl
0e5f0a3068
no need for two loops
2020-03-24 11:27:53 +01:00
Martin Diehl
106cc1de92
complete iteration of each materialpoint step by step
2020-03-24 10:45:38 +01:00
Martin Diehl
cde558e736
convergence check on the fly
2020-03-24 10:34:15 +01:00
Martin Diehl
4c485f1af0
state jump in same loop
2020-03-24 10:18:17 +01:00
Martin Diehl
3a6269e802
wrong omp pragmas
2020-03-24 10:06:08 +01:00
Martin Diehl
8d6dcd779c
dotstate/residual/state calculation in the same loop
2020-03-24 06:34:42 +01:00
Martin Diehl
830ea61739
better readable
2020-03-24 06:27:43 +01:00
Martin Diehl
9c134e68fc
in-line dot state
2020-03-23 08:15:33 +01:00
Martin Diehl
e5743c7d27
same logic
2020-03-23 06:53:23 +01:00
Martin Diehl
027818c942
run in one loop
2020-03-23 00:32:41 +01:00
Martin Diehl
0b321bd9d4
bugfix for nonlocal
...
logic is hard to understand ...
2020-03-23 00:18:57 +01:00
Martin Diehl
86db8f8ca4
avoid flush
2020-03-23 00:15:00 +01:00
Martin Diehl
e7d61e49fe
can be done in the same loop
2020-03-22 23:16:00 +01:00
Martin Diehl
48c9d31720
matching names
2020-03-20 15:08:07 +01:00
Martin Diehl
03bec0221a
systematic names
2020-03-20 15:00:18 +01:00
Martin Diehl
dd30a4ca65
module name = file name
2020-03-20 14:56:04 +01:00
Martin Diehl
b569e9cd6e
clearer name
2020-03-20 14:55:10 +01:00
Martin Diehl
6ad1315b60
consistent name
2020-03-20 13:37:37 +01:00
Martin Diehl
d54b3bd3b7
typo
2020-03-20 13:30:30 +01:00
Martin Diehl
7e7b32add1
useful defaults
2020-03-20 13:25:37 +01:00
Martin Diehl
7aa47d8f5a
module name follows filename
2020-03-20 07:18:11 +01:00
Martin Diehl
91e728d065
polishing
2020-03-19 11:30:36 +01:00
Martin Diehl
e1bd49a12b
constants/parameters in capitals
2020-03-17 08:17:14 +01:00
Martin Diehl
b4ed508745
Store data only where needed
2020-03-17 07:51:14 +01:00
Martin Diehl
6097267cd2
treat as 'normal' internal function
2020-03-17 07:17:40 +01:00
Martin Diehl
71d4de269a
better store data locally
2020-03-17 00:39:32 +01:00
Martin Diehl
8d46a22f5a
better keep data close to its use
2020-03-17 00:10:23 +01:00
Martin Diehl
f718587011
was not used
2020-03-17 00:01:42 +01:00
Martin Diehl
160ef4af7e
simplified
2020-03-16 23:43:59 +01:00
Martin Diehl
fecd1586b0
using notation from paper
2020-03-16 23:31:43 +01:00
Martin Diehl
caa0e502df
only remainder of old mapping exist
...
and they are clearly marked as deprecated
2020-03-16 22:56:33 +01:00
Martin Diehl
becb04c234
simpler ...
2020-03-16 22:50:09 +01:00
Martin Diehl
c0fc7ad9a9
simpler
2020-03-16 22:50:09 +01:00
Martin Diehl
1434aa529f
default name
2020-03-16 22:50:09 +01:00
Martin Diehl
44d12669a4
works if Nslip=[0]
2020-03-16 22:50:09 +01:00
Martin Diehl
c702a9f1d7
numpy name
2020-03-16 22:50:09 +01:00
Martin Diehl
9733f4a140
standard names
2020-03-16 22:50:09 +01:00
Martin Diehl
e4792e56fb
store data where it is needed
...
avoid globals, even if they are read only
2020-03-16 21:39:53 +01:00
Martin Diehl
0bb7fea782
sort into folders ...
...
and avoid names like mesh_mesh
2020-03-16 21:03:54 +01:00
Martin Diehl
71e6c24102
2 space indentation
2020-03-16 20:58:40 +01:00
Martin Diehl
6ce0101a3d
getting rid of global totalNslip
2020-03-16 17:54:31 +01:00
Martin Diehl
c965b14d1d
forall is deprecated
2020-03-16 17:18:50 +01:00
Martin Diehl
0ff54d1c43
transpose not needed twice
...
"static" part of the interaction matrix is symmetric for one slip family
2020-03-16 16:46:16 +01:00
Martin Diehl
ad014d40be
vectorized
2020-03-16 16:41:55 +01:00
Martin Diehl
9d6bd1cb77
vectorized
...
There seems to be a bug in the interaction matrix, there should be no
transpose. However, the transpose recovers the old behavior (up to
machine precision)
2020-03-16 16:02:14 +01:00
Martin Diehl
8d5d31988a
cleaning
2020-03-16 15:36:34 +01:00
Martin Diehl
ecd74ff8b5
internal functions need no prefix
2020-03-16 15:22:44 +01:00
Martin Diehl
47f91d08ca
handle most stupid case
2020-03-16 15:04:51 +01:00
Martin Diehl
b19665f235
works for elasticity only
2020-03-16 14:58:42 +01:00
Martin Diehl
8ae5814815
symbol name as in DAMASK paper
2020-03-16 13:36:24 +01:00
Martin Diehl
5760c680b6
no need to store for the whole simulation
2020-03-16 13:14:44 +01:00
Martin Diehl
f8049b85be
works for no active slip systems
2020-03-16 13:06:39 +01:00
Martin Diehl
5d7ff888fc
should work for elasticity only
2020-03-16 11:14:55 +01:00
Martin Diehl
7b3b4ffb1c
following python style
2020-03-16 11:14:27 +01:00
Martin Diehl
9ed48f7e5f
getting rid of totalNslip in nonlocal
2020-03-16 10:09:58 +01:00
Martin Diehl
044b816005
better to read w/o cycle
2020-03-16 09:42:58 +01:00
Martin Diehl
ab5177e0be
better readable
2020-03-16 09:37:25 +01:00
Martin Diehl
fc15616ef7
simplifying
2020-03-16 09:18:05 +01:00
Martin Diehl
4d62432d34
internal functions at the end
2020-03-16 08:22:36 +01:00
Martin Diehl
ef4b24646d
only store parameters that are needed during the simulation
2020-03-16 08:16:55 +01:00
Martin Diehl
23c6510faa
atol=0.0 is fine
...
crystallite takes max(atol, rtol*X), so atol=0.0 means that convergence
is based on rtol only
2020-03-16 00:52:18 +01:00
Martin Diehl
e3bbd32b1e
polishing
2020-03-16 00:12:18 +01:00
Martin Diehl
0735d2da7c
no need to store # sytems/family
2020-03-16 00:05:51 +01:00
Martin Diehl
c7f3c2cb56
notation from DAMASK paper
2020-03-15 21:58:28 +01:00
Martin Diehl
e53ba801fa
more systematic file structure
2020-03-15 17:04:28 +01:00
Martin Diehl
d37f42da4f
better sort files according to solver
2020-03-15 16:58:30 +01:00
Martin Diehl
5b71f1050f
better make internal function
...
- not used
- no check whether matrix is positive-definite, i.e. danger of NaN
2020-03-15 16:11:28 +01:00
Martin Diehl
8c78347a8b
equivalent, but systematic better visible
2020-03-15 16:05:56 +01:00
Martin Diehl
7677bc876b
more precise documentation
...
symmetric is not enough, could result in taking the square root of negative eigenvalues
2020-03-15 15:58:25 +01:00
Martin Diehl
253ee0013d
equivalent, but more systematic
2020-03-15 15:03:53 +01:00
Martin Diehl
65decfc48a
intention more clear
2020-03-15 14:54:25 +01:00
Martin Diehl
66302fa6da
rotational part is always of 3x3 tensor
2020-03-15 14:21:11 +01:00
Martin Diehl
4b3f4834b5
unified documentation and variable names
2020-03-15 14:07:38 +01:00
Martin Diehl
2d678fae8f
better readable
2020-03-15 13:52:50 +01:00
Martin Diehl
6a0d4678a9
better readable
2020-03-15 13:19:07 +01:00
Martin Diehl
9aa9b7ff69
documenting parameters
2020-03-15 13:09:27 +01:00
Martin Diehl
ae49e6710d
documenting for doxygen
2020-03-15 12:54:35 +01:00
Martin Diehl
8cc16da53f
atol is part of the state structure, no need for suffix
2020-03-15 09:51:40 +01:00
Martin Diehl
7ec5a0bd6b
make consistency check
2020-03-15 09:39:35 +01:00
Martin Diehl
a3e2d39854
no need to store atol twice
2020-03-15 08:47:16 +01:00
Martin Diehl
9ad391ae50
include sanity check
2020-03-14 22:53:05 +01:00
Martin Diehl
38b755740b
no need to store atol
2020-03-14 20:55:46 +01:00
Martin Diehl
eb08f9f0b2
polishing
2020-03-14 19:40:05 +01:00
Martin Diehl
33aaa94865
use centralized (and tested) funtionality
2020-03-14 17:29:08 +01:00
Martin Diehl
8bd708f3b1
correct type
2020-03-14 13:53:21 +01:00
Martin Diehl
5c4ddf5138
Merge branch 'development' into MiscImprovements
2020-03-14 12:52:30 +01:00
Martin Diehl
07ecf60722
more explicit and flexible
2020-03-13 14:03:04 +01:00
Martin Diehl
e8b5a6dfe4
bugfix:
...
full stress tensor should be used
2020-03-10 14:02:09 +01:00
Martin Diehl
705ee908a2
Merge remote-tracking branch 'origin/development' into clean-and-polish-damage
2020-03-10 13:49:11 +01:00
Martin Diehl
aa75591ea9
no need to prefix internal parameters
...
also, use CAPITALS for parameters, but not for module prefixes (does not
work for IO and HDF5 anyway)
2020-03-10 13:45:00 +01:00
Martin Diehl
2f16c1cacf
more relevant test
...
restricting to reasonable F allows to use a reasonable tolerance
2020-03-10 07:58:03 +01:00
Martin Diehl
39b2f8d2d9
clearer name
2020-03-10 06:13:54 +01:00
Martin Diehl
3fadbaa369
fixed typo
2020-03-09 22:20:33 +01:00
Martin Diehl
6bc57d4911
mainly code duplication and not used
2020-03-09 14:17:41 +01:00
Martin Diehl
4a93f2206d
avoid early return + use numpy names
2020-03-09 14:17:05 +01:00
Martin Diehl
105853004a
correct type conversions
2020-03-09 14:07:31 +01:00
Martin Diehl
a1f36b14d3
simplifying
...
still trying to figure out how to best use HDF5 for reference stiffness
2020-03-09 14:05:49 +01:00
Martin Diehl
cf8e3fb91a
single source of truth
2020-03-09 14:00:58 +01:00
Martin Diehl
a0f1509045
full out of source build
...
no temporary variables appear in src if following cmake procedure
2020-03-09 13:55:28 +01:00
Sharan Roongta
0b340a6d42
Merge branch 'less-public-variables' into development
2020-03-09 11:25:35 +01:00
Martin Diehl
9f8fbaa9f7
same names for same variables
2020-03-02 15:49:14 +01:00
Martin Diehl
c4a0bf62f0
UTF signs for clearer documentation
2020-03-02 15:30:39 +01:00
Martin Diehl
6701af6425
better readable, tested, and following standard notation
2020-03-01 23:00:06 +01:00
Martin Diehl
44f09099ca
sliprate is allready positive here
2020-03-01 18:48:47 +01:00
Martin Diehl
c5b07bc535
need to be defined
2020-03-01 10:22:37 +01:00
Martin Diehl
6dfc48f89e
better use names known from numpy
2020-03-01 09:52:46 +01:00
Martin Diehl
4ab3bfe96d
polishing/simplifying
2020-03-01 09:41:42 +01:00
Martin Diehl
37dd59193e
better readable
2020-03-01 09:34:33 +01:00
Martin Diehl
9e80d98709
no need to re-calculate projection over and over again
2020-03-01 09:06:03 +01:00
Martin Diehl
9b1823f879
should be checked for both ductile models
2020-03-01 08:28:21 +01:00
Martin Diehl
4b791a38a5
no need for a module variable
2020-02-29 17:19:34 +01:00
Martin Diehl
00d6187325
public functions first
2020-02-29 17:04:29 +01:00
Martin Diehl
0c70eefb91
always assume indicators of length 3
2020-02-29 17:03:01 +01:00
Martin Diehl
18ccc49d6f
avoid duplicated public/private statements
...
variables should be private
2020-02-29 15:15:41 +01:00
Martin Diehl
4d227fab2b
polishing
2020-02-29 14:34:19 +01:00
Martin Diehl
3713810592
simplified allocation for same shape
2020-02-29 13:53:04 +01:00
Martin Diehl
bcccf06450
Merge remote-tracking branch 'origin/development' into less-public-variables
2020-02-29 13:18:02 +01:00
Martin Diehl
4935f90d5a
polishing
2020-02-29 13:17:33 +01:00
Martin Diehl
2bc36121b2
less public variables, clearer names
2020-02-29 12:57:19 +01:00
Martin Diehl
ca76014e45
preparing removal of public functions
2020-02-29 12:21:03 +01:00
Martin Diehl
13e2b0725a
useful as external function
2020-02-29 12:20:40 +01:00
Martin Diehl
8700d7784c
avoid global variables
2020-02-29 11:10:23 +01:00
Martin Diehl
54881a6ca9
better readable: show that there is no division by zero
2020-02-29 10:55:52 +01:00
Martin Diehl
791db82136
better readable
2020-02-29 10:27:22 +01:00
Martin Diehl
8dd62f1c1e
better readable and with sanity checks
2020-02-29 10:20:38 +01:00
Martin Diehl
a9572f81a1
bugfix: array access out of bounds
...
this now uses always the first (source) entry of a particular type.
Needs clearer structure in the future
2020-02-29 09:52:33 +01:00
Martin Diehl
07ab7a4d57
one loop is enough
2020-02-29 09:36:42 +01:00
Martin Diehl
2429eee079
no need for 2 variables
2020-02-29 08:03:06 +01:00
Martin Diehl
0679fa1713
polishing
2020-02-29 07:58:33 +01:00
Martin Diehl
ba9bd9120e
unifying code style
2020-02-29 07:42:59 +01:00
Martin Diehl
53bd9f9b64
need to read in variable before it is used
2020-02-29 06:39:16 +01:00
Martin Diehl
5350f3950f
no need to store temporary variables
2020-02-29 06:38:08 +01:00
Martin Diehl
2b855940f5
not needed here
2020-02-28 21:54:32 +01:00
Martin Diehl
e4fe152810
no public parameters
2020-02-28 21:44:40 +01:00
Martin Diehl
3aec4f91f4
WIP: get rid of global variables from lattice
2020-02-28 19:46:18 +01:00
Martin Diehl
0fbba60c91
do not rely on public variables
2020-02-28 19:35:53 +01:00
Martin Diehl
15712d7ebb
last remaining outputID enums removed
2020-02-28 11:06:21 +01:00
Martin Diehl
11d456bcd7
no need for enums
...
no performance difference measurable but less complicated code without
them
2020-02-28 10:58:11 +01:00
Martin Diehl
991d0fe020
polishing/unifying
2020-02-28 10:40:17 +01:00
Martin Diehl
cf0f5f0fee
polishing
2020-02-28 10:04:38 +01:00
Martin Diehl
4c17963cd6
cleavage systems should reflect lattice symmetry
...
also {100} cleavage planes need investigation
2020-02-26 19:11:33 +01:00
Martin Diehl
c9b9c9103b
2 space indentation
2020-02-26 18:49:20 +01:00
Martin Diehl
73491f3be9
simplified and unified style
2020-02-26 18:37:17 +01:00
Martin Diehl
7e30c10e82
internal functions need no prefix and are located at the end
2020-02-26 18:02:47 +01:00
Martin Diehl
33dc44e512
2 space indentation
2020-02-26 17:55:19 +01:00
Martin Diehl
eacf0cc894
does not makes sense to have cleavage planes for isotropic
...
behavior can be recovered by using 'real' crystal structures and
suitable parameter (easiest for fcc/bcc)
2020-02-26 17:50:29 +01:00
Martin Diehl
1d77af66c0
preparing removal of initializeStructure
2020-02-26 07:23:29 +01:00
Martin Diehl
839443bc85
better (generic) name where possible
2020-02-26 07:06:25 +01:00
Martin Diehl
cbcb7dca5d
cleaning
2020-02-26 06:12:45 +01:00
Martin Diehl
82dee9db0e
matching names
2020-02-25 17:53:15 +01:00
Martin Diehl
48604292e2
Merge remote-tracking branch 'origin/development' into MiscImprovements
2020-02-25 17:33:39 +01:00
Martin Diehl
4889e75e52
clearer structure
2020-02-25 17:32:49 +01:00
Martin Diehl
2c952c3410
these variables can be at leat write protected
2020-02-25 09:50:21 +01:00
Martin Diehl
7d7eff0d94
crystallite should be responsible of crystallite variables
2020-02-25 09:42:07 +01:00