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1156 Commits

Author SHA1 Message Date
Marek Nečada 53764f3dd1 Fix qpms_vswf_set_reindex().
continuous-integration/drone/push Build is passing Details 
Stupid typo with possibly serious consequences...
 2022-06-23 11:34:15 +03:00
Marek Nečada f9620e1d11 Fix saving lists of arrays with recent versions of numpy 2022-06-22 12:30:02 +03:00
Marek Nečada 5e4f9130fb Disable "hard" examples in CI 2022-06-21 15:13:20 +03:00
Marek Nečada 03e5be17f9 Add bc to CI common prerequisities (required to run examples)
continuous-integration/drone/push Build was killed Details
2022-06-21 09:54:24 +03:00
Marek Nečada 74ce35605b Run some working examples in CI
continuous-integration/drone/push Build is failing Details
2022-06-21 09:41:37 +03:00
Marek Nečada 2a85b16347 sympy fix deprecated cyclic printing init
continuous-integration/drone/push Build is passing Details
2022-06-21 09:35:36 +03:00
Marek Nečada ac0d322246 Initial qpms version metadata in library and output files
continuous-integration/drone/push Build is passing Details 
Merge branch 'versioning'
 2022-06-21 08:53:18 +03:00
Marek Nečada a1472f3db6 Version metadata into output files
continuous-integration/drone/push Build is failing Details
2022-06-21 08:50:12 +03:00
Marek Nečada 260b053102 Fix __version__, pdf annotate function 2022-06-21 08:49:23 +03:00
Marek Nečada 78992188fd Initial version info in the C library
continuous-integration/drone/push Build is failing Details 
Cmake modules taken from https://github.com/rpavlik/cmake-modules
see also https://stackoverflow.com/q/1435953
 2022-06-21 06:25:22 +03:00
Marek Nečada e7f7cd38d2 Trustworthier source for zbessel submodule
continuous-integration/drone/push Build is passing Details
2022-06-16 07:41:32 +03:00
Marek Nečada b525c66043 Initial CI workflow for Drone
continuous-integration/drone/push Build is passing Details
2022-06-16 02:25:17 +03:00
Marek Nečada e69b927ec3 List of public mirrors 2022-06-10 12:43:16 +03:00
Marek Nečada 2731a87ef7 Installation on Android. 2022-06-07 07:07:37 +03:00
Marek Nečada 3a34effe34 Don't import qpms_p in __init__, remove scipy from install dependencies 2022-06-07 06:10:24 +03:00
Marek Nečada 1aac5de903 Replace scipy.constants with own constants module. 2022-06-07 05:55:36 +03:00
Marek Nečada 87c2fd24fe Use detected libraries in CMakeLists.txt instead of hardcoded ones. 
Should fix some issues while building/linking libqpms.so;
still needs to be somehow done in the Python part as well.
 2022-06-06 12:07:25 +03:00
Marek Nečada aea0afee15 Fix unitialised diagonal blocks in full modeproblem matrix. 
The bug in qpms_scatsysw_build_modeproblem_matrix_full()
via qpms_scatsysw_scatsyswk_build_modeproblem_matrix_full()
affected finite-size arrays: instead of filling the diagonal
interaction blocks with zeros, they were filled with undefined
values from a superfluous zgemm() call.
 2021-12-21 11:36:58 +02:00
Kristian Arjas 77a3566aba Fix MaterialInterpolator memory issue 2021-10-27 23:51:54 +03:00
Kristian Arjas 24a6ea01d7 Include vlen in the solver (yet another regression from 087cd1c) 2021-09-21 09:59:26 +03:00
Kristian Arjas 50a5aa11a6 Add residual to solver (fix regression from 087cd1c) 2021-09-15 16:46:13 +03:00
Marek Nečada 572e15edbb Merge branch 'python_tmg': T-matrix generators from python functions 2021-08-23 08:42:50 +03:00
Marek Nečada b12fc991e5 Custom python T-matrix generator test. 2021-08-23 08:39:27 +03:00
Marek Nečada a5b137847a Custom python T-matrix generators 2021-08-22 09:01:16 +03:00
Marek Nečada 314cde1b99 BaseSpec "constructor" from C pointer. 2021-08-21 19:05:49 +03:00
Marek Nečada 80ee8b0d53 setup.py improvements 
- resolve numpy header location using numpy.get_include()
- a hack to install cython, numpy before calling setup()
  (needed for cythonize() and get_include()) if necessary
- use named lists to reduce repetitions
- remove gslcblas from linker dependencies
- remove some old, commented out stuff
 2021-08-08 08:02:06 +03:00
Marek Nečada 087cd1cab3 Merge branch 'beyn_pureblas' 
Getting rid of gsl_matrix and gsl_cblas dependencies in the
implementation of Beyn's algorithm. This avoids header clashes between
gsl_cblas.h and cblas.h.
 2021-06-11 11:12:42 +03:00
Marek Nečada 9d556e7b23 Remove all gsl_matrix_... related code in Beyn. 
Now that pure BLAS implementation is working, this in no longer needed.

Getting rid of gsl_matrix and gsl_cblas eliminates header clashes between
GSL and other CBLAS implementations.
 2021-06-11 11:11:17 +03:00
Marek Nečada f19c590d6e Pure BLAS Beyn: cleanup commented out GSL code 2021-06-11 11:11:17 +03:00
Marek Nečada 2be3521333 beyn pure BLAS: fix indices and strides 
Also fix amos reference in CMakeLists
 2021-06-11 11:11:17 +03:00
Marek Nečada 64f77557a7 [WIP;BROKEN] Getting rid of gsl linear algebra in Beyn. 
Segfaults in LAPACKE_zgesdd.


Former-commit-id: 39ce2f70e214bfe2fba6f1ec2960139194dbc761
 2021-06-11 11:11:17 +03:00
Marek Nečada 7e0d7639e8 Fix tests/CMakeLists amos reference 2021-06-09 13:28:18 +03:00
Marek Nečada 36c5d5236a Fix CQuat.from_rotvector() 2021-02-08 08:47:40 +02:00
Marek Nečada cf2aca7f03 Silent NAN (with warning) instead of crash for singular Bessel at zero 2020-11-17 10:57:16 +02:00
Marek Nečada 3479721455 Workaround for crashing spherical Bessel funcs at large distance. 
This leads to loss of precision nevertheless, but it should
not be critical, especially if the main use is in far field patterns.
 2020-09-02 12:15:26 +03:00
Marek Nečada 6189918348 finiterect-constants-driving always output the actual ccd_size 2020-09-02 09:30:23 +03:00
Marek Nečada 031397aacd finiterectlat-modes.py fix filename pattern 2020-08-03 17:58:50 +03:00
Marek Nečada 1a4b279eff Add D2h/D4h choice for square lattices in finiterectlat-modes.py 2020-08-03 14:50:33 +03:00
Marek Nečada 5285210489 Fix/update finiterectlat-modes.py 2020-08-03 14:36:06 +03:00
Marek Nečada ae62cf903d C99 standard compliance for static const initialisers. 2020-07-23 14:18:07 +03:00
Marek Nečada 5246229b2d Code reuse 2020-07-23 10:00:39 +03:00
Marek Nečada 868e603f1c Infinite periodic system scattered field "bases" 2020-07-23 07:23:47 +03:00
Marek Nečada bf297c11c3 Alternative approach in recursive "Delta" to avoid overflows. 2020-07-21 05:07:23 +03:00
Marek Nečada 9e42520371 Docstrings, array dtypes, fix _sswk "constructor" 2020-07-20 12:29:37 +03:00
Marek Nečada a68e1d8f8c Fix Ag Drude-Lorentz parameters also in the Python version. 2020-07-08 19:37:13 +03:00
Kristian Arjas a669e661e3 Fix Drude Parameters 2020-07-08 16:00:33 +03:00
Kristian Arjas d19a7813f7 Update gitignore 2020-07-08 15:58:42 +03:00
Marek Nečada 07c2f678b2 Fix finite <-> infinite error 2020-07-04 01:50:00 +03:00
Marek Nečada 38fca209ef Some features to enable ScatteringSystem reconstruction 2020-07-03 23:04:53 +03:00
Marek Nečada 24b5371e18 Remove erroneus "assert" 2020-07-03 20:08:49 +03:00