Sharan Roongta
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7754a1ea56
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Restructuring for material.yaml
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2020-08-15 16:08:46 +02:00 |
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Martin Diehl
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ae20ab8d42
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more reasonable name
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2020-05-16 17:05:03 +02:00 |
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Martin Diehl
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1ccd3aab89
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suppress warnings
the compiler does not know that IO_error terminates the program
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2020-05-15 22:33:38 +02:00 |
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Martin Diehl
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5a4a7393b9
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statements belong together
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2020-04-28 19:17:34 +02:00 |
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Martin Diehl
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b6596a0310
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compiler can do the counting
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2020-03-29 19:17:24 +02:00 |
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Martin Diehl
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e1bd49a12b
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constants/parameters in capitals
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2020-03-17 08:17:14 +01:00 |
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Martin Diehl
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fecd1586b0
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using notation from paper
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2020-03-16 23:31:43 +01:00 |
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Martin Diehl
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7b3b4ffb1c
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following python style
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2020-03-16 11:14:27 +01:00 |
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Martin Diehl
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33aaa94865
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use centralized (and tested) funtionality
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2020-03-14 17:29:08 +01:00 |
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Martin Diehl
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8bd708f3b1
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correct type
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2020-03-14 13:53:21 +01:00 |
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Martin Diehl
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5c4ddf5138
|
Merge branch 'development' into MiscImprovements
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2020-03-14 12:52:30 +01:00 |
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Martin Diehl
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07ecf60722
|
more explicit and flexible
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2020-03-13 14:03:04 +01:00 |
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Martin Diehl
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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)
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2020-03-10 13:45:00 +01:00 |
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Martin Diehl
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39b2f8d2d9
|
clearer name
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2020-03-10 06:13:54 +01:00 |
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Martin Diehl
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00d6187325
|
public functions first
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2020-02-29 17:04:29 +01:00 |
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Martin Diehl
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0c70eefb91
|
always assume indicators of length 3
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2020-02-29 17:03:01 +01:00 |
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Martin Diehl
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4d227fab2b
|
polishing
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2020-02-29 14:34:19 +01:00 |
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Martin Diehl
|
4935f90d5a
|
polishing
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2020-02-29 13:17:33 +01:00 |
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Martin Diehl
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2bc36121b2
|
less public variables, clearer names
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2020-02-29 12:57:19 +01:00 |
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Martin Diehl
|
13e2b0725a
|
useful as external function
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2020-02-29 12:20:40 +01:00 |
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Martin Diehl
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8700d7784c
|
avoid global variables
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2020-02-29 11:10:23 +01:00 |
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Martin Diehl
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5350f3950f
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no need to store temporary variables
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2020-02-29 06:38:08 +01:00 |
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Martin Diehl
|
2b855940f5
|
not needed here
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2020-02-28 21:54:32 +01:00 |
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Martin Diehl
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e4fe152810
|
no public parameters
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2020-02-28 21:44:40 +01:00 |
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Martin Diehl
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4c17963cd6
|
cleavage systems should reflect lattice symmetry
also {100} cleavage planes need investigation
|
2020-02-26 19:11:33 +01:00 |
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Martin Diehl
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7e30c10e82
|
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)
|
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 |
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Martin Diehl
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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
|
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 |
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Martin Diehl
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a6ddbbd70c
|
cleaning
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2020-01-03 12:40:25 +01:00 |
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Martin Diehl
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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
|
one loop is enough
|
2020-01-02 21:02:37 +01:00 |
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Martin Diehl
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be319c5a83
|
single source of truth
|
2019-12-25 09:24:42 +01:00 |
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Martin Diehl
|
34af10fac1
|
using default string length
|
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 |
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Martin Diehl
|
2d7293726c
|
more useful order
|
2019-10-07 18:04:29 +02:00 |
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Martin Diehl
|
a963f1d2c3
|
better explicit
|
2019-09-21 09:16:58 -07:00 |
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Martin Diehl
|
09c1150e3c
|
more error checking
|
2019-09-20 18:16:08 -07:00 |
|
Martin Diehl
|
c1d1c83088
|
better check input data
|
2019-09-20 17:49:55 -07:00 |
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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 |