5926f84851
WIP: refactoring Orientation=Symmetry+Rotation, Lattice=subclass of Sym, and Crystal=Lattice+Rotation
2020-11-09 21:20:56 +01:00
3e4330d10a
partition, not partion
2020-10-07 22:15:13 +02:00
1d2e9324f1
do not rely on 6=STDOUT, 0=STDERR
2020-09-19 10:51:07 +02:00
797073b015
print choses output unit automatically, no need to rely on 6
...
also shorter...
2020-09-17 19:28:41 +02:00
84b9104302
clearly indicate origin of functions
...
also supresses (flawed) error message of gfortran related to
non-standard type 'bytes'
2020-09-13 20:14:34 +02:00
5b83c8ad3c
use 'error stop'
...
- does not require IO
- prints stack trace
2020-09-13 12:09:32 +02:00
a6ac875db8
short and clear names for integer precision
2020-09-12 11:02:39 +02:00
1f28592fcd
improved documentation
...
Python/numpy style: Active description, start with capital, end with
full stop
2020-09-08 06:55:04 +02:00
43e9ea352a
typo
2020-09-08 05:56:10 +02:00
54207760db
conversion byte -> float/int with 4/8 byte length
2020-09-06 17:36:05 +02:00
ae20ab8d42
more reasonable name
2020-05-16 17:05:03 +02:00
79012c9ffb
not needed
2020-04-01 10:00:12 +02:00
54e3455bd4
RKCK45 store intermediate state only per point
2020-04-01 07:10:02 +02:00
e46220cd8a
OMP bugfix for FPI integrator, memory-efficient RK4
2020-03-31 22:02:53 +02:00
e818dfdb3e
not used anymore
2020-03-31 20:42:51 +02:00
fdbbb94aac
takeover from RKCK45
2020-03-26 21:46:28 +01:00
8cc16da53f
atol is part of the state structure, no need for suffix
2020-03-15 09:51:40 +01:00
33aaa94865
use centralized (and tested) funtionality
2020-03-14 17:29:08 +01:00
18ccc49d6f
avoid duplicated public/private statements
...
variables should be private
2020-02-29 15:15:41 +01:00
c2c84d698f
Merge remote-tracking branch 'origin/development' into MiscImprovements
2020-02-11 17:11:43 +01:00
24a8d7ed29
256 (pStringLen) might not be sufficient for file operations
2020-01-26 11:40:25 +01:00
13107abd39
not working and significat efforts needed to test it
2020-01-26 07:44:22 +01:00
e0110c676e
avoid long lines
2020-01-02 18:44:51 +01:00
34af10fac1
using default string length
2019-12-21 12:39:54 +01:00
83cf062318
better define only once
2019-12-21 11:19:33 +01:00
9b67ead62f
removed postResults completely
2019-12-11 00:10:02 +01:00
93da6d3f63
was not used
2019-12-02 23:07:01 +01:00
ffcb7a0a24
aim of the calculation clearer
...
don't know if brackets are honored here
2019-09-23 09:31:14 -07:00
da041f43bc
floating point arithmetic refinement
...
Intel 18.4 could not detect 0.0
2019-09-23 09:29:38 -07:00
285dab4451
self consistent solutions
2019-09-22 23:53:56 -07:00
90440b50b7
prec provides IEEE module
2019-05-11 11:19:06 +02:00
72110d509c
one implicit none is enough
2019-05-09 08:30:03 +02:00
1ff55b6374
not supported by ancient compiler needed for Abaqus
2019-03-26 21:44:25 +01:00
81b971374b
no need to use pInt
2019-03-07 19:34:27 +01:00
d17c1a6d17
comment was wrong
2019-03-07 18:37:22 +01:00
7a083c4098
[skip ci] more general names and procedure
2019-03-07 11:02:27 +01:00
a965c46025
improved functions for floating point comparison
...
- less stric tolerance for comparison to zero
- better readable
- avoid "merge" on optional arguments (not safe)
- "equal" and "notEqual" are now symmetric (assignment of <= and < is
arbitrary)
2019-03-06 15:57:42 +01:00
51f8b1961f
simplify integer precision handling
...
essentially, it should be ok to always use the default integer (which is
32 bit unless using MSC.Marc) and use 64 bit integer only for special cases where an overflow
could happen
2019-03-06 15:52:52 +01:00
977f61452b
compiler-independent defintion of real and integer kinds
...
real(8) does not neccessarily mean a real with 8 byte (but for gfortran
and ifort it does)
2019-03-06 15:25:47 +01:00
17a682e883
P/epsijk parameter has nothing to do with precision
2019-02-01 08:53:57 +01:00
40d38ebf55
added rotation conversions
...
modified versions from 3Drotations code (available on GitHub) by Marc De Graef
2018-12-08 08:02:55 +01:00
18db5f5652
not needed
2018-09-18 05:20:08 +02:00
38fd517c44
Merge remote-tracking branch 'remotes/origin/36-faster-file-handling-for-material-config-use-stream-access-instead-of-line-wise-reading' into development
2018-08-27 15:13:16 +02:00
271b9ba76b
intersting note ...
2018-08-22 23:28:47 +02:00
52002f654e
to converge at one point to one (or two) string lenth values
2018-08-22 09:14:16 +02:00
3e4c878304
using shared interface for spectral and FEM solver
...
group_scalar seems inappropriate as integers are also scalars. renamed
to group_float (is actually usually of double precision).
think about better name, types should have a t prefix. tgroupFloat?
2018-08-20 16:09:40 +02:00
ba215ed9ea
small polish
2018-08-13 18:27:51 -04:00
8edeeaf213
renaming of p_vec and friends to names based on "group"
2018-08-03 19:39:14 -04:00
31311d63db
gfortran 8 was complaining, asigned pointer is not contiguous
2018-05-16 00:09:33 +02:00
d80e15bd76
compiler_options and compiler_version supported by new Intel compiler
2018-02-02 12:36:09 +01:00
Martin Diehl