Commit Graph

58 Commits

Author SHA1 Message Date
Martin Diehl 710c217d8a no extra mapping for damage 2020-12-15 19:55:55 +01:00
Martin Diehl 5926f84851 WIP: refactoring Orientation=Symmetry+Rotation, Lattice=subclass of Sym, and Crystal=Lattice+Rotation 2020-11-09 21:20:56 +01:00
Sharan Roongta 3e4330d10a partition, not partion 2020-10-07 22:15:13 +02:00
Martin Diehl 1d2e9324f1 do not rely on 6=STDOUT, 0=STDERR 2020-09-19 10:51:07 +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 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
Martin Diehl 5b83c8ad3c use 'error stop'
- does not require IO
- prints stack trace
2020-09-13 12:09:32 +02:00
Martin Diehl a6ac875db8 short and clear names for integer precision 2020-09-12 11:02:39 +02:00
Martin Diehl 1f28592fcd improved documentation
Python/numpy style: Active description, start with capital, end with
full stop
2020-09-08 06:55:04 +02:00
Martin Diehl 43e9ea352a typo 2020-09-08 05:56:10 +02:00
Martin Diehl 54207760db conversion byte -> float/int with 4/8 byte length 2020-09-06 17:36:05 +02:00
Martin Diehl ae20ab8d42 more reasonable name 2020-05-16 17:05:03 +02:00
Martin Diehl 79012c9ffb not needed 2020-04-01 10:00:12 +02:00
Martin Diehl 54e3455bd4 RKCK45 store intermediate state only per point 2020-04-01 07:10:02 +02:00
Martin Diehl e46220cd8a OMP bugfix for FPI integrator, memory-efficient RK4 2020-03-31 22:02:53 +02:00
Martin Diehl e818dfdb3e not used anymore 2020-03-31 20:42:51 +02:00
Martin Diehl fdbbb94aac takeover from RKCK45 2020-03-26 21:46:28 +01:00
Martin Diehl 8cc16da53f atol is part of the state structure, no need for suffix 2020-03-15 09:51:40 +01:00
Martin Diehl 33aaa94865 use centralized (and tested) funtionality 2020-03-14 17:29:08 +01:00
Martin Diehl 18ccc49d6f avoid duplicated public/private statements
variables should be private
2020-02-29 15:15:41 +01:00
Martin Diehl c2c84d698f Merge remote-tracking branch 'origin/development' into MiscImprovements 2020-02-11 17:11:43 +01:00
Martin Diehl 24a8d7ed29 256 (pStringLen) might not be sufficient for file operations 2020-01-26 11:40:25 +01:00
Martin Diehl 13107abd39 not working and significat efforts needed to test it 2020-01-26 07:44:22 +01:00
Martin Diehl e0110c676e avoid long lines 2020-01-02 18:44:51 +01:00
Martin Diehl 34af10fac1 using default string length 2019-12-21 12:39:54 +01:00
Martin Diehl 83cf062318 better define only once 2019-12-21 11:19:33 +01:00
Martin Diehl 9b67ead62f removed postResults completely 2019-12-11 00:10:02 +01:00
Martin Diehl 93da6d3f63 was not used 2019-12-02 23:07:01 +01:00
Martin Diehl ffcb7a0a24 aim of the calculation clearer
don't know if brackets are honored here
2019-09-23 09:31:14 -07:00
Martin Diehl da041f43bc floating point arithmetic refinement
Intel 18.4 could not detect 0.0
2019-09-23 09:29:38 -07:00
Martin Diehl 285dab4451 self consistent solutions 2019-09-22 23:53:56 -07:00
Martin Diehl 90440b50b7 prec provides IEEE module 2019-05-11 11:19:06 +02:00
Martin Diehl 72110d509c one implicit none is enough 2019-05-09 08:30:03 +02:00
Martin Diehl 1ff55b6374 not supported by ancient compiler needed for Abaqus 2019-03-26 21:44:25 +01:00
Martin Diehl 81b971374b no need to use pInt 2019-03-07 19:34:27 +01:00
Martin Diehl d17c1a6d17 comment was wrong 2019-03-07 18:37:22 +01:00
Martin Diehl 7a083c4098 [skip ci] more general names and procedure 2019-03-07 11:02:27 +01:00
Martin Diehl 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
Martin Diehl 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
Martin Diehl 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
Martin Diehl 17a682e883 P/epsijk parameter has nothing to do with precision 2019-02-01 08:53:57 +01:00
Martin Diehl 40d38ebf55 added rotation conversions
modified versions from 3Drotations code (available on GitHub) by Marc De Graef
2018-12-08 08:02:55 +01:00
Martin Diehl 18db5f5652 not needed 2018-09-18 05:20:08 +02:00
Franz Roters 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
Martin Diehl 271b9ba76b intersting note ... 2018-08-22 23:28:47 +02:00
Martin Diehl 52002f654e to converge at one point to one (or two) string lenth values 2018-08-22 09:14:16 +02:00
Martin Diehl 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
Philip Eisenlohr ba215ed9ea small polish 2018-08-13 18:27:51 -04:00
Philip Eisenlohr 8edeeaf213 renaming of p_vec and friends to names based on "group" 2018-08-03 19:39:14 -04:00
Martin Diehl 31311d63db gfortran 8 was complaining, asigned pointer is not contiguous 2018-05-16 00:09:33 +02:00