Martin Diehl
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41fbc58c1b
|
standard conforming name
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2020-09-22 13:09:12 +02:00 |
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Martin Diehl
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63f9078f04
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don' hardcode output unit
replaced remaining write(6,..), flush(6) with write(OUTPUT_UNIT,...),
flush(OUTPUT_UNIT)
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2020-09-22 12:15:36 +02:00 |
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Martin Diehl
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797073b015
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print choses output unit automatically, no need to rely on 6
also shorter...
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2020-09-17 19:28:41 +02:00 |
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Martin Diehl
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5b83c8ad3c
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use 'error stop'
- does not require IO
- prints stack trace
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2020-09-13 12:09:32 +02:00 |
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Martin Diehl
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74b35f5612
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short numpy name
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2020-09-13 11:18:57 +02:00 |
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Martin Diehl
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b499578a95
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prefix should be name of the module
poor substitute for namespace
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2020-09-13 10:39:17 +02:00 |
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Sharan Roongta
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7754a1ea56
|
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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86bef605e3
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polishing
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2020-07-24 23:40:42 +02:00 |
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Martin Diehl
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3ed1850d68
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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
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2020-07-24 23:08:05 +02:00 |
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Martin Diehl
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ec56316683
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IPneighborhood for MSC.Marc
tested for 8 ip hexahedaron
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2020-07-16 15:26:00 +02:00 |
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Sharan Roongta
|
0b2d62e98d
|
polishing
|
2020-06-29 17:05:11 +02:00 |
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Martin Diehl
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640bc7b190
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[skip ci] polishing
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2020-06-29 15:09:13 +02:00 |
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Sharan Roongta
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692fc98fd5
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'num' structure for data to avoid multiple reading of parameters
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2020-06-24 16:35:47 +02:00 |
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Sharan Roongta
|
d4d29ff376
|
cleaning: comments added
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2020-06-17 17:19:21 +02:00 |
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Sharan Roongta
|
45f1e3a986
|
further removal of public variables
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2020-06-17 13:31:21 +02:00 |
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Martin Diehl
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ae20ab8d42
|
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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a6d1e02b32
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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 |
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Martin Diehl
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a2e70612ff
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interface checking for LAPACK
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2020-04-10 12:52:27 +02:00 |
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Martin Diehl
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ba5538516c
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simplified
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2020-03-29 20:04:24 +02:00 |
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Martin Diehl
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b6596a0310
|
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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becb04c234
|
simpler ...
|
2020-03-16 22:50:09 +01:00 |
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Martin Diehl
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c702a9f1d7
|
numpy name
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2020-03-16 22:50:09 +01:00 |
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Martin Diehl
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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 |
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Martin Diehl
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8c78347a8b
|
equivalent, but systematic better visible
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2020-03-15 16:05:56 +01:00 |
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Martin Diehl
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7677bc876b
|
more precise documentation
symmetric is not enough, could result in taking the square root of negative eigenvalues
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2020-03-15 15:58:25 +01:00 |
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Martin Diehl
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253ee0013d
|
equivalent, but more systematic
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2020-03-15 15:03:53 +01:00 |
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Martin Diehl
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65decfc48a
|
intention more clear
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2020-03-15 14:54:25 +01:00 |
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Martin Diehl
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66302fa6da
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rotational part is always of 3x3 tensor
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2020-03-15 14:21:11 +01:00 |
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Martin Diehl
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4b3f4834b5
|
unified documentation and variable names
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2020-03-15 14:07:38 +01:00 |
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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 |
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Martin Diehl
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9aa9b7ff69
|
documenting parameters
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2020-03-15 13:09:27 +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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2f16c1cacf
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more relevant test
restricting to reasonable F allows to use a reasonable tolerance
|
2020-03-10 07:58:03 +01:00 |
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Martin Diehl
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6bc57d4911
|
mainly code duplication and not used
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2020-03-09 14:17:41 +01:00 |
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Martin Diehl
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4a93f2206d
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avoid early return + use numpy names
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2020-03-09 14:17:05 +01:00 |
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Martin Diehl
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c4a0bf62f0
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UTF signs for clearer documentation
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2020-03-02 15:30:39 +01:00 |
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Martin Diehl
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6701af6425
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better readable, tested, and following standard notation
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2020-03-01 23:00:06 +01:00 |
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Martin Diehl
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6dfc48f89e
|
better use names known from numpy
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2020-03-01 09:52:46 +01:00 |
|
Martin Diehl
|
4ab3bfe96d
|
polishing/simplifying
|
2020-03-01 09:41:42 +01:00 |
|
Martin Diehl
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2d74a83dad
|
cleaning
|
2020-02-03 23:48:09 +01:00 |
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Martin Diehl
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0ce0bb2d85
|
better understandable
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2020-02-03 21:39:00 +01:00 |
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Martin Diehl
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588525611b
|
also report correctly negative seeds
|
2020-02-01 09:04:02 +01:00 |
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Martin Diehl
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b938f1a98d
|
polishing
* constants in CAPITALS
* more tests
* 'forall' is deprecated in Fortran 2018
|
2020-01-29 14:01:14 +01:00 |
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Martin Diehl
|
3f96c12e06
|
avoid code duplication
|
2020-01-29 11:09:57 +01:00 |
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Martin Diehl
|
cda1f4acab
|
more tests
failed unitTests report consistently with "internal error"
|
2020-01-26 20:53:13 +01:00 |
|
Martin Diehl
|
87c7a5d5a3
|
polishing
|
2020-01-10 02:11:19 +01:00 |
|
Martin Diehl
|
f633c67fe4
|
polishing
|
2020-01-02 20:49:02 +01:00 |
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Martin Diehl
|
f5292019e5
|
use rotation class
|
2019-12-02 20:23:50 +01:00 |
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Martin Diehl
|
8a9d3f8d6d
|
avoid code duplication
|
2019-12-02 20:09:27 +01:00 |