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1127 Commits

Author SHA1 Message Date
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
Marek Nečada 840744ec97 Provide access to more information in ScatteringSystem 2020-07-03 19:11:06 +03:00
Marek Nečada 38a4dbfcd7 Set compiler/linker options to make cython parallelisation actually work. 2020-07-03 15:10:15 +03:00
Marek Nečada 17824b062e Attempt to parallelize scattered_E cython methods. 2020-07-03 14:20:07 +03:00
Marek Nečada 1328077490 Ewald sum optimisation 
Avoiding repeated cpow() calls yields more than 5x speedup
in the off-plane case.
 2020-07-03 11:46:34 +03:00
Marek Nečada f7883a713b Docs: Add overview of CLI utilities; optimisation TODO 2020-07-02 22:49:12 +03:00
Marek Nečada 93118cfc07 [cleanup] Great purge of obsolete scripts 
Some of the purged scripts might be desirable
to reimplement using the new API, especially
those related to hexagonal lattices.
 2020-07-02 22:29:39 +03:00
Marek Nečada fc27320988 [cleanup] Remove obsolete CLI scripts 2020-06-30 19:29:14 +03:00
Marek Nečada 676240cf0d Update MathJax CDN address. 2020-06-29 12:36:07 +03:00
Marek Nečada 7d92f4990b Cleanup of legacy files. 2020-06-29 09:29:40 +03:00
Marek Nečada e0861a7d40 Doxygen annotations of header files. 
Also more politically corrent file name.
 2020-06-29 09:14:19 +03:00
Marek Nečada 87c2b08701 Update README, remove obsolete periodic lattice tutorial 
Former-commit-id: b720e30291768b564b73823c5741fe59ab46ed57
 2020-06-26 22:40:00 +03:00
Marek Nečada 6c79a9116b Mention submodule in README 
Former-commit-id: 010fe7beb14bef1e56be720e2196716baebc5998
 2020-06-23 15:30:21 +03:00
Marek Nečada 884baca199 Add license 
Former-commit-id: 08424eb61c2af81d2bf7e782ab63dded93c40b32
 2020-06-23 15:23:20 +03:00
Marek Nečada e0e572db3c Update features in README.md 
Former-commit-id: bb142ce1812d0d9330f8e60286820aaf105c505a
 2020-06-23 15:16:23 +03:00
Marek Nečada 42497939c1 Scattering example ipynb 
Former-commit-id: 9a642c465092fc90fd683f360afa45e978ca8afe
 2020-06-23 14:53:29 +03:00
Marek Nečada cc8d2644bf size_vs_lMax plot script as in the paper 
Former-commit-id: db19f07b9e2c2f92cab16dc2ecd72518e55ce19e
 2020-06-23 08:38:07 +03:00
Marek Nečada 14e415dfc5 Add the size vs. lMax script from triton. 
Former-commit-id: b2670f5fb1c54242dd670a4e71eb018a85e2ea6c
 2020-06-23 08:13:52 +03:00
Marek Nečada 7f2e36e956 Square lattice example mode plot 
Former-commit-id: a07106cf57e2d2d7c2c9c19712fc4affbdad3419
 2020-06-23 05:48:28 +03:00
Marek Nečada eba5784042 Ewald 1,2D in 3D fix K -> k + K 
Former-commit-id: 65f29d42014d7150894e9c9a2bf1c7b71a90172b
 2020-06-22 16:36:42 +03:00
Marek Nečada b09dfc8784 Ewald 1D and 2D in 3D notes formulae linewraps 
Former-commit-id: 0c671a706fb871e0aa4edd4e981e86fcada2bab4
 2020-06-22 09:50:48 +03:00
Marek Nečada 62ba67ebcf 1D and 2D in 3D notes before typesetting changes 
Former-commit-id: ad258954b036a932e2f46024caee39d02f651222
 2020-06-22 05:46:35 +03:00
Marek Nečada a0b0d72686 Generic 1D _and_ 2D in 3D LR Ewald formula 
Former-commit-id: 72de2cbfa9ea1803f8c535eee521f204dce30d40
 2020-06-21 21:47:34 +03:00
Marek Nečada 299bb6fc03 Kinda reasonable form of 1D in 3D Ewald. 
Former-commit-id: eb5c54026cff0c2889d32cd2c6288e7be2cbb3e9
 2020-06-21 18:59:32 +03:00
Marek Nečada cae5cee97d Ewald 1D in 3D: jdu spát 
Former-commit-id: 7ed762d676c8f7fb1c4988522d3fca51eb66cc9b
 2020-06-16 00:35:03 +03:00
Marek Nečada 827499c3ff WIP Ewald 1D in 3D notes: partial index fix etc. 
Former-commit-id: 23b253c8179a8f62e05675fdf2fef26dc484790d
 2020-06-15 13:12:26 +03:00
Marek Nečada 0c442ba745 WIP Ewald 1D in 3D 
Former-commit-id: e4a1632ef3b0185b67a24bd93fdff8b3de79267c
 2020-06-14 21:49:19 +03:00
Marek Nečada a34f3b37d9 Ewald 1D in 3D notes 
Former-commit-id: 771165b42dc07d0681588cf1ee4e047d938c1b45
 2020-06-12 16:10:28 +03:00
Marek Nečada fec399d16b Notes on τ vs. σ 
Former-commit-id: 23add1dc0a6d0190e8fd61dceb9e39f7237dd4c8
 2020-06-12 10:14:20 +03:00
Marek Nečada e2584e3163 Notes: periodic Greens functions vs SWF lattice sums 
Former-commit-id: 342ee89b71d416f4f452222a69d439738d522fab
 2020-06-11 16:26:02 +03:00