Martin Diehl
|
2ca3a824a4
|
better fail immediately
|
2021-02-25 23:11:36 +01:00 |
|
Martin Diehl
|
6f65de27fc
|
not used
was only used for reporting (see v.2.0.0)
|
2021-01-07 14:59:12 +01:00 |
|
Martin Diehl
|
80c8c9e51e
|
fixing use for new Intel Fortran
visibility of use associated entities can now be limited
|
2020-11-28 07:23:55 +01:00 |
|
Martin Diehl
|
3d7aceb99b
|
avoid underflow/division by zero
|
2020-11-11 20:57:17 +01:00 |
|
Martin Diehl
|
cd7ada0da9
|
use Fortran internals for error handling
|
2020-11-11 20:09:14 +01:00 |
|
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
|
5b83c8ad3c
|
use 'error stop'
- does not require IO
- prints stack trace
|
2020-09-13 12:09:32 +02:00 |
|
Martin Diehl
|
74b35f5612
|
short numpy name
|
2020-09-13 11:18:57 +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
|
86bef605e3
|
polishing
|
2020-07-24 23:40:42 +02:00 |
|
Martin Diehl
|
3ed1850d68
|
calculate R directly from F
no detour via inverse of U/V needed.
Determinant of R seems to deviate less from 1.0 with this version
|
2020-07-24 23:08:05 +02:00 |
|
Martin Diehl
|
ec56316683
|
IPneighborhood for MSC.Marc
tested for 8 ip hexahedaron
|
2020-07-16 15:26:00 +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
|
692fc98fd5
|
'num' structure for data to avoid multiple reading of parameters
|
2020-06-24 16:35:47 +02:00 |
|
Sharan Roongta
|
d4d29ff376
|
cleaning: comments added
|
2020-06-17 17:19:21 +02:00 |
|
Sharan Roongta
|
45f1e3a986
|
further removal of public variables
|
2020-06-17 13:31:21 +02:00 |
|
Martin Diehl
|
ae20ab8d42
|
more reasonable name
|
2020-05-16 17:05:03 +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
|
a2e70612ff
|
interface checking for LAPACK
|
2020-04-10 12:52:27 +02:00 |
|
Martin Diehl
|
ba5538516c
|
simplified
|
2020-03-29 20:04:24 +02:00 |
|
Martin Diehl
|
b6596a0310
|
compiler can do the counting
|
2020-03-29 19:17:24 +02:00 |
|
Martin Diehl
|
becb04c234
|
simpler ...
|
2020-03-16 22:50:09 +01:00 |
|
Martin Diehl
|
c702a9f1d7
|
numpy name
|
2020-03-16 22:50:09 +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
|
33aaa94865
|
use centralized (and tested) funtionality
|
2020-03-14 17:29:08 +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
|
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
|
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
|
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
|
2d74a83dad
|
cleaning
|
2020-02-03 23:48:09 +01:00 |
|
Martin Diehl
|
0ce0bb2d85
|
better understandable
|
2020-02-03 21:39:00 +01:00 |
|
Martin Diehl
|
588525611b
|
also report correctly negative seeds
|
2020-02-01 09:04:02 +01:00 |
|
Martin Diehl
|
b938f1a98d
|
polishing
* constants in CAPITALS
* more tests
* 'forall' is deprecated in Fortran 2018
|
2020-01-29 14:01:14 +01:00 |
|
Martin Diehl
|
3f96c12e06
|
avoid code duplication
|
2020-01-29 11:09:57 +01:00 |