Martin Diehl
|
228398e787
|
config follows structure
|
2020-12-31 09:10:59 +01:00 |
|
Martin Diehl
|
1ac5465d65
|
using central functionality
|
2020-12-28 11:03:29 +01:00 |
|
Martin Diehl
|
c712332e87
|
using consistent names for Bravais lattice in Fortran and Python
|
2020-11-28 22:38:12 +01:00 |
|
Sharan Roongta
|
2157bf50cd
|
mech --> mechanics
|
2020-11-17 22:21:35 +01:00 |
|
Martin Diehl
|
cd7ada0da9
|
use Fortran internals for error handling
|
2020-11-11 20:09:14 +01:00 |
|
Martin Diehl
|
8e89452791
|
not needed
|
2020-11-11 13:59:37 +01:00 |
|
Sharan Roongta
|
7b761476e4
|
under mech dictionary
|
2020-11-03 00:48:16 +01:00 |
|
Sharan Roongta
|
40d28456af
|
Merge branch 'development' into variableName=ParameterName
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2020-09-24 13:13:19 +02:00 |
|
Sharan Roongta
|
c72240323e
|
applied to lattice variables
|
2020-09-23 01:50:13 +02:00 |
|
Martin Diehl
|
41fbc58c1b
|
standard conforming name
|
2020-09-22 13:09:12 +02:00 |
|
Martin Diehl
|
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 |
|
Martin Diehl
|
797073b015
|
print choses output unit automatically, no need to rely on 6
also shorter...
|
2020-09-17 19:28:41 +02:00 |
|
Martin Diehl
|
316c5f7d20
|
internal errors (do not depend on user input)
|
2020-09-13 12:20:44 +02:00 |
|
Martin Diehl
|
5b83c8ad3c
|
use 'error stop'
- does not require IO
- prints stack trace
|
2020-09-13 12:09:32 +02:00 |
|
Martin Diehl
|
b499578a95
|
prefix should be name of the module
poor substitute for namespace
|
2020-09-13 10:39:17 +02:00 |
|
Sharan Roongta
|
7754a1ea56
|
Restructuring for material.yaml
|
2020-08-15 16:08:46 +02:00 |
|
Martin Diehl
|
ae20ab8d42
|
more reasonable name
|
2020-05-16 17:05:03 +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
|
5a4a7393b9
|
statements belong together
|
2020-04-28 19:17:34 +02:00 |
|
Martin Diehl
|
b6596a0310
|
compiler can do the counting
|
2020-03-29 19:17:24 +02:00 |
|
Martin Diehl
|
e1bd49a12b
|
constants/parameters in capitals
|
2020-03-17 08:17:14 +01:00 |
|
Martin Diehl
|
fecd1586b0
|
using notation from paper
|
2020-03-16 23:31:43 +01:00 |
|
Martin Diehl
|
7b3b4ffb1c
|
following python style
|
2020-03-16 11:14:27 +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
|
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
|
39b2f8d2d9
|
clearer name
|
2020-03-10 06:13:54 +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
|
4d227fab2b
|
polishing
|
2020-02-29 14:34:19 +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
|
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
|
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
|
4c17963cd6
|
cleavage systems should reflect lattice symmetry
also {100} cleavage planes need investigation
|
2020-02-26 19:11:33 +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
|
4889e75e52
|
clearer structure
|
2020-02-25 17:32:49 +01:00 |
|
Martin Diehl
|
00e14b9861
|
PGI does not allow sum in init for parameter
|
2020-01-04 01:04:20 +01:00 |
|
Martin Diehl
|
4ebd89c040
|
shape is known (no need for automatic allocation)
|
2020-01-03 13:47:04 +01:00 |
|
Martin Diehl
|
a6ddbbd70c
|
cleaning
|
2020-01-03 12:40:25 +01:00 |
|
Martin Diehl
|
d81dc01ce0
|
we consider indvidual systems, not families
|
2020-01-03 12:14:20 +01:00 |
|
Martin Diehl
|
c919237998
|
one loop is enough
|
2020-01-02 21:02:37 +01:00 |
|
Martin Diehl
|
be319c5a83
|
single source of truth
|
2019-12-25 09:24:42 +01:00 |
|
Martin Diehl
|
34af10fac1
|
using default string length
|
2019-12-21 12:39:54 +01:00 |
|
Sharan Roongta
|
2c0264191e
|
typo!
|
2019-10-18 17:13:19 +02:00 |
|
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 |
|
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 |
|
Martin Diehl
|
2d51c0595b
|
don't parse material.config any more
|
2019-02-20 19:03:20 +01:00 |
|
Martin Diehl
|
d29b37f517
|
provide slip system components as functions
|
2019-02-20 07:53:34 +01:00 |
|
Martin Diehl
|
649750a1c9
|
let lattice to the work
|
2019-02-19 23:55:59 +01:00 |
|
Martin Diehl
|
ae9d8e4e8d
|
cleaning
|
2019-02-18 10:28:08 +01:00 |
|
Martin Diehl
|
8a30441a52
|
Merge branch 'development' into 32_NewStyleNonlocal-3
|
2019-02-18 07:14:11 +01:00 |
|
Martin Diehl
|
690fef6f06
|
avoid publicly avaialbe data, rather provide setters and getters
|
2019-02-17 20:38:57 +01:00 |
|
Martin Diehl
|
c4b3ac3afb
|
slip system definition for bcc still needed
|
2019-02-17 17:04:26 +01:00 |
|
Martin Diehl
|
d3e6430b94
|
only used internally
|
2019-02-17 14:30:58 +01:00 |
|
Martin Diehl
|
7ad866b90f
|
not needed any more
|
2019-02-17 12:16:12 +01:00 |
|
Martin Diehl
|
55cef533f1
|
conversion 3x3-matrix <-> 6-vector not helpful
|
2019-02-13 00:00:07 +01:00 |
|
Martin Diehl
|
99ef353446
|
more sanity checks
structure string can be now of arbitrary length (technically)
only fcc,hex,bcc,bct,ort are accepted labels
|
2019-01-25 13:42:38 +01:00 |
|
Martin Diehl
|
cc858d3139
|
Merge branch 'development' into 44-column-major-access-to-interaction-matrices
|
2019-01-06 08:17:23 +01:00 |
|
Martin Diehl
|
e083520c73
|
trans systems now handled centrally
remove inactive (= untested) definitions.
|
2018-12-22 07:49:52 +01:00 |