299c47fd6f
prepare for varying C66
...
- check structure centrally
- pure function with guaranteed return/no stop
2021-05-24 20:33:50 +02:00
f525999f52
updated tests
2021-05-24 20:12:34 +02:00
0d0bc188eb
potentially less error prone (and easier to read)
2021-05-24 17:17:27 +02:00
40698740aa
fixed symmetry handling
...
- ort not tested, no examples, no documentation => removed
- aP is the opposite of isotropic => removed
isostropic materials can be easily specified as cI or cF, using C_44 =
1/2 * (C_11 - C_12). Acceptable extra effort for special use case
orthorhombic can be easily implemented if needed, but needs test,
documentation, and examples
2021-05-24 15:45:25 +02:00
4d889e0b1b
Merge remote-tracking branch 'origin/development' into Fortran-cleaning
2021-05-23 21:24:53 +02:00
10c6070873
added {123} slips systems of bcc
2021-05-20 18:45:15 +02:00
053c427509
adjusting to new interaction matrices
2021-05-09 14:50:55 +02:00
c9c8631e7b
including documentation from damask.mpie.de
2021-05-09 10:58:43 +02:00
8277d88799
new interaction matrix for bcc from Madec2017
2021-05-07 10:42:47 +02:00
cc855be822
new interaction matrix for FCC, 1,2,3,4 are unchanged, 5 can now be 5 or 6, old 6-12 are add +1 and now are 7-13
2021-05-07 10:32:31 +02:00
d64ad82ce0
use negative numbers to have unique names for the {112} slip system in BCC
2021-05-07 10:24:04 +02:00
f655a6fe5c
store data locally
2021-04-11 14:30:10 +02:00
d488f1708a
consistent naming
2021-04-11 07:41:59 +02:00
3b392281e4
consistent naming in HDF5 output
2021-03-25 19:22:59 +01:00
72c099dbbe
store data separetly
2021-02-13 15:06:27 +01:00
228398e787
config follows structure
2020-12-31 09:10:59 +01:00
1ac5465d65
using central functionality
2020-12-28 11:03:29 +01:00
c712332e87
using consistent names for Bravais lattice in Fortran and Python
2020-11-28 22:38:12 +01:00
2157bf50cd
mech --> mechanics
2020-11-17 22:21:35 +01:00
cd7ada0da9
use Fortran internals for error handling
2020-11-11 20:09:14 +01:00
8e89452791
not needed
2020-11-11 13:59:37 +01:00
7b761476e4
under mech dictionary
2020-11-03 00:48:16 +01:00
40d28456af
Merge branch 'development' into variableName=ParameterName
2020-09-24 13:13:19 +02:00
c72240323e
applied to lattice variables
2020-09-23 01:50:13 +02:00
41fbc58c1b
standard conforming name
2020-09-22 13:09:12 +02:00
63f9078f04
don' hardcode output unit
...
replaced remaining write(6,..), flush(6) with write(OUTPUT_UNIT,...),
flush(OUTPUT_UNIT)
2020-09-22 12:15:36 +02:00
797073b015
print choses output unit automatically, no need to rely on 6
...
also shorter...
2020-09-17 19:28:41 +02:00
316c5f7d20
internal errors (do not depend on user input)
2020-09-13 12:20:44 +02:00
5b83c8ad3c
use 'error stop'
...
- does not require IO
- prints stack trace
2020-09-13 12:09:32 +02:00
b499578a95
prefix should be name of the module
...
poor substitute for namespace
2020-09-13 10:39:17 +02:00
7754a1ea56
Restructuring for material.yaml
2020-08-15 16:08:46 +02:00
ae20ab8d42
more reasonable name
2020-05-16 17:05:03 +02:00
1ccd3aab89
suppress warnings
...
the compiler does not know that IO_error terminates the program
2020-05-15 22:33:38 +02:00
5a4a7393b9
statements belong together
2020-04-28 19:17:34 +02:00
b6596a0310
compiler can do the counting
2020-03-29 19:17:24 +02:00
e1bd49a12b
constants/parameters in capitals
2020-03-17 08:17:14 +01:00
fecd1586b0
using notation from paper
2020-03-16 23:31:43 +01:00
7b3b4ffb1c
following python style
2020-03-16 11:14:27 +01:00
33aaa94865
use centralized (and tested) funtionality
2020-03-14 17:29:08 +01:00
8bd708f3b1
correct type
2020-03-14 13:53:21 +01:00
5c4ddf5138
Merge branch 'development' into MiscImprovements
2020-03-14 12:52:30 +01:00
07ecf60722
more explicit and flexible
2020-03-13 14:03:04 +01:00
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
39b2f8d2d9
clearer name
2020-03-10 06:13:54 +01:00
00d6187325
public functions first
2020-02-29 17:04:29 +01:00
0c70eefb91
always assume indicators of length 3
2020-02-29 17:03:01 +01:00
4d227fab2b
polishing
2020-02-29 14:34:19 +01:00
4935f90d5a
polishing
2020-02-29 13:17:33 +01:00
2bc36121b2
less public variables, clearer names
2020-02-29 12:57:19 +01:00
13e2b0725a
useful as external function
2020-02-29 12:20:40 +01:00
8700d7784c
avoid global variables
2020-02-29 11:10:23 +01:00
5350f3950f
no need to store temporary variables
2020-02-29 06:38:08 +01:00
2b855940f5
not needed here
2020-02-28 21:54:32 +01:00
e4fe152810
no public parameters
2020-02-28 21:44:40 +01:00
4c17963cd6
cleavage systems should reflect lattice symmetry
...
also {100} cleavage planes need investigation
2020-02-26 19:11:33 +01:00
7e30c10e82
internal functions need no prefix and are located at the end
2020-02-26 18:02:47 +01:00
33dc44e512
2 space indentation
2020-02-26 17:55:19 +01:00
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
1d77af66c0
preparing removal of initializeStructure
2020-02-26 07:23:29 +01:00
4889e75e52
clearer structure
2020-02-25 17:32:49 +01:00
00e14b9861
PGI does not allow sum in init for parameter
2020-01-04 01:04:20 +01:00
4ebd89c040
shape is known (no need for automatic allocation)
2020-01-03 13:47:04 +01:00
a6ddbbd70c
cleaning
2020-01-03 12:40:25 +01:00
d81dc01ce0
we consider indvidual systems, not families
2020-01-03 12:14:20 +01:00
c919237998
one loop is enough
2020-01-02 21:02:37 +01:00
be319c5a83
single source of truth
2019-12-25 09:24:42 +01:00
34af10fac1
using default string length
2019-12-21 12:39:54 +01:00
2c0264191e
typo!
2019-10-18 17:13:19 +02:00
b502300ffc
get labels of slip and twin systems
...
this info is for HDF5 output
2019-10-10 13:11:02 +02:00
1d51443607
polishing/unifying names
2019-10-10 12:26:45 +02:00
02d7ead3ab
better readable
2019-10-10 12:10:13 +02:00
cf0e279d93
labels were not used
...
better use automated labeling of all systems
2019-10-10 10:48:55 +02:00
2d7293726c
more useful order
2019-10-07 18:04:29 +02:00
a963f1d2c3
better explicit
2019-09-21 09:16:58 -07:00
09c1150e3c
more error checking
2019-09-20 18:16:08 -07:00
c1d1c83088
better check input data
2019-09-20 17:49:55 -07:00
a8b72c3f53
even better to read
2019-09-20 17:42:55 -07:00
7fe3e3b406
easier to read
2019-09-20 17:38:57 -07:00
ad83c8541d
same names as in python
2019-09-20 17:18:09 -07:00
7e6265b128
make use of consistency checks
2019-09-20 16:52:55 -07:00
42fba28fa1
getting rid of conversions with unclear behavior
2019-09-20 07:37:58 -07:00
08d2cdcb25
forall is deprecated in Fortran 2018
2019-09-19 14:24:13 -07:00
7fa979f800
removed unused function
...
were based on/used for deprecated orientation handling
2019-09-19 13:51:37 -07:00
be0d961954
cleaning
2019-09-19 13:40:03 -07:00
2fc66cff5b
better readable
2019-09-04 14:30:26 -07:00
951134d13f
not needed
2019-06-04 12:06:16 +02:00
01e3b646c2
don't clutter the code with useless stuff
...
we only need to be more strict about prefixing
functions/subroutines/variables to see in which module they reside
2019-05-16 22:56:48 +02:00
1036c76ae0
to transpose already when constructing the interaction matrix
2019-04-13 00:46:27 +02:00
c3925b3497
small polishing
2019-04-07 14:47:21 +02:00
453eb538f7
preparing for PGI compiler
2019-04-03 16:24:15 +00:00
4604e65a42
use matmul instead of hand-written functions
...
- performance is the same
- leaner code
- matmul works (was buggy a few years ago)
2019-04-03 08:22:04 +02:00
1869f2cdcd
string length handling in-line with other functions
2019-03-26 06:27:13 +01:00
1ece0a1dfd
better readable
2019-03-12 09:36:54 +01:00
1df8b22e23
clearer names
2019-03-12 09:28:06 +01:00
18fe8c34ee
fortran fast storage of interaction matrices
2019-03-11 22:41:59 +01:00
0cdcc4de11
no pInt any more
2019-03-11 17:35:08 +01:00
7643d66654
bugfix, avoid error
2019-03-09 16:22:57 +00:00
55d55a156b
following numpy syntax
2019-03-09 16:19:56 +00:00
22a3596561
simplified, trying to get rid of all public variables
2019-03-09 15:12:59 +01:00
c74f453486
public variables not needed anymore
2019-03-09 15:12:59 +01:00
Martin Diehl