Martin Diehl
|
2b855940f5
|
not needed here
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2020-02-28 21:54:32 +01:00 |
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Martin Diehl
|
e4fe152810
|
no public parameters
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2020-02-28 21:44:40 +01:00 |
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Martin Diehl
|
4c17963cd6
|
cleavage systems should reflect lattice symmetry
also {100} cleavage planes need investigation
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2020-02-26 19:11:33 +01:00 |
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Martin Diehl
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7e30c10e82
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internal functions need no prefix and are located at the end
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2020-02-26 18:02:47 +01:00 |
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Martin Diehl
|
33dc44e512
|
2 space indentation
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2020-02-26 17:55:19 +01:00 |
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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)
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2020-02-26 17:50:29 +01:00 |
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Martin Diehl
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1d77af66c0
|
preparing removal of initializeStructure
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2020-02-26 07:23:29 +01:00 |
|
Martin Diehl
|
4889e75e52
|
clearer structure
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2020-02-25 17:32:49 +01:00 |
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Martin Diehl
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00e14b9861
|
PGI does not allow sum in init for parameter
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2020-01-04 01:04:20 +01:00 |
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Martin Diehl
|
4ebd89c040
|
shape is known (no need for automatic allocation)
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2020-01-03 13:47:04 +01:00 |
|
Martin Diehl
|
a6ddbbd70c
|
cleaning
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2020-01-03 12:40:25 +01:00 |
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Martin Diehl
|
d81dc01ce0
|
we consider indvidual systems, not families
|
2020-01-03 12:14:20 +01:00 |
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Martin Diehl
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c919237998
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one loop is enough
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2020-01-02 21:02:37 +01:00 |
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Martin Diehl
|
be319c5a83
|
single source of truth
|
2019-12-25 09:24:42 +01:00 |
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Martin Diehl
|
34af10fac1
|
using default string length
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2019-12-21 12:39:54 +01:00 |
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Sharan Roongta
|
2c0264191e
|
typo!
|
2019-10-18 17:13:19 +02:00 |
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Martin Diehl
|
b502300ffc
|
get labels of slip and twin systems
this info is for HDF5 output
|
2019-10-10 13:11:02 +02:00 |
|
Martin Diehl
|
1d51443607
|
polishing/unifying names
|
2019-10-10 12:26:45 +02:00 |
|
Martin Diehl
|
02d7ead3ab
|
better readable
|
2019-10-10 12:10:13 +02:00 |
|
Martin Diehl
|
cf0e279d93
|
labels were not used
better use automated labeling of all systems
|
2019-10-10 10:48:55 +02:00 |
|
Martin Diehl
|
2d7293726c
|
more useful order
|
2019-10-07 18:04:29 +02:00 |
|
Martin Diehl
|
a963f1d2c3
|
better explicit
|
2019-09-21 09:16:58 -07:00 |
|
Martin Diehl
|
09c1150e3c
|
more error checking
|
2019-09-20 18:16:08 -07:00 |
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Martin Diehl
|
c1d1c83088
|
better check input data
|
2019-09-20 17:49:55 -07:00 |
|
Martin Diehl
|
a8b72c3f53
|
even better to read
|
2019-09-20 17:42:55 -07:00 |
|
Martin Diehl
|
7fe3e3b406
|
easier to read
|
2019-09-20 17:38:57 -07:00 |
|
Martin Diehl
|
ad83c8541d
|
same names as in python
|
2019-09-20 17:18:09 -07:00 |
|
Martin Diehl
|
7e6265b128
|
make use of consistency checks
|
2019-09-20 16:52:55 -07:00 |
|
Martin Diehl
|
42fba28fa1
|
getting rid of conversions with unclear behavior
|
2019-09-20 07:37:58 -07:00 |
|
Martin Diehl
|
08d2cdcb25
|
forall is deprecated in Fortran 2018
|
2019-09-19 14:24:13 -07:00 |
|
Martin Diehl
|
7fa979f800
|
removed unused function
were based on/used for deprecated orientation handling
|
2019-09-19 13:51:37 -07:00 |
|
Martin Diehl
|
be0d961954
|
cleaning
|
2019-09-19 13:40:03 -07:00 |
|
Martin Diehl
|
2fc66cff5b
|
better readable
|
2019-09-04 14:30:26 -07:00 |
|
Martin Diehl
|
951134d13f
|
not needed
|
2019-06-04 12:06:16 +02:00 |
|
Martin Diehl
|
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 |
|
Martin Diehl
|
1036c76ae0
|
to transpose already when constructing the interaction matrix
|
2019-04-13 00:46:27 +02:00 |
|
Martin Diehl
|
c3925b3497
|
small polishing
|
2019-04-07 14:47:21 +02:00 |
|
Martin Diehl
|
453eb538f7
|
preparing for PGI compiler
|
2019-04-03 16:24:15 +00:00 |
|
Martin Diehl
|
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 |
|
Martin Diehl
|
1869f2cdcd
|
string length handling in-line with other functions
|
2019-03-26 06:27:13 +01:00 |
|
Martin Diehl
|
1ece0a1dfd
|
better readable
|
2019-03-12 09:36:54 +01:00 |
|
Martin Diehl
|
1df8b22e23
|
clearer names
|
2019-03-12 09:28:06 +01:00 |
|
Martin Diehl
|
18fe8c34ee
|
fortran fast storage of interaction matrices
|
2019-03-11 22:41:59 +01:00 |
|
Martin Diehl
|
0cdcc4de11
|
no pInt any more
|
2019-03-11 17:35:08 +01:00 |
|
Martin Diehl
|
7643d66654
|
bugfix, avoid error
|
2019-03-09 16:22:57 +00:00 |
|
Martin Diehl
|
55d55a156b
|
following numpy syntax
|
2019-03-09 16:19:56 +00:00 |
|
Martin Diehl
|
22a3596561
|
simplified, trying to get rid of all public variables
|
2019-03-09 15:12:59 +01:00 |
|
Martin Diehl
|
c74f453486
|
public variables not needed anymore
|
2019-03-09 15:12:59 +01:00 |
|
Martin Diehl
|
f0d03a41ba
|
fracture modes are calculated differently
|
2019-03-09 15:12:59 +01:00 |
|
Martin Diehl
|
3fa699ad22
|
indices were mixed up
|
2019-02-20 20:17:55 +01:00 |