bfa99b2663
argproc.py: enable manual specification of BaseSpec
2022-06-01 16:09:16 +03:00
92842d4e75
Nicer BaseSpec.__repr__() for BaseSpec(lMax=...)
2022-05-25 19:16:22 +03:00
b9d89fb346
BaseSpec.__repr__()
2022-05-25 07:35:40 +03:00
4df51c3986
BaseSpec constructor docs
2022-05-25 06:09:31 +03:00
0551004d4d
Comments, doxygen
...
Remove old (not valid anymore) comments from vswf.h
Doxygenise translations_dbg.h
2022-04-24 22:30:46 +03:00
16a0a7dc0a
Dummy (zero) T-matrix generator
2022-04-04 09:43:02 +03:00
3052895ac6
VSWF fill test, fix memory issue
2022-03-30 14:03:49 +03:00
9e788b9d2f
Missing include
2022-03-30 13:07:27 +03:00
923e1e0a77
Indexing.h C++ compatibility; flag C++ incompatible headers.
2022-03-30 11:15:18 +03:00
856903a98b
Restructure headers to ensure ewald.h C++ compatibility
2022-03-30 10:58:07 +03:00
89f7400c71
vectors.h explicit type conversions for C++ compatibility
2022-03-30 09:59:04 +03:00
6820eb3366
extern "C" in headers
2022-03-30 09:47:06 +03:00
b04a4deebe
Replace "complex" with "_Complex" in headers
...
Needed for compatibility with C++ (in which "complex" is
a template).
2022-03-30 09:06:47 +03:00
10d3beca1c
Indexing documentation, pedantic use of qpms_y_sc_t
2022-03-25 21:53:45 +02:00
f9081c5922
Remove duplicit function declaration.
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qpms_scatsysw_scattered_field_basis()
2022-03-25 16:10:24 +02:00
54936ee722
analysis: fix symmetry group info
2022-01-03 23:51:13 +02:00
63f7f216b0
Analysis script also for finiterectlat constant driving results
2022-01-03 20:58:01 +02:00
0315481977
Expose more testing functions via cython api.
2021-12-21 12:42:23 +02:00
dca04153f2
Fix unitialised diagonal blocks in full modeproblem matrix.
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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 11:29:44 +02:00
d40f1fd004
analysis.py: fix duplicities in position mapping due to rounding errors
2021-12-09 14:53:57 +02:00
dd0ee9e2d4
Helper class to analyse results of finiterectlat-modes.py
2021-12-09 14:22:46 +02:00
d600977ca5
Move old cython translation_calculator wrapper
2021-12-09 11:18:14 +02:00
f283bc01d1
Attempt to fix the Ewald sum SSWF phase bug
2021-12-09 11:18:14 +02:00
b088464e3e
Revert scatsystem cython parallelisation.
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It didn't work correctly on my laptop.
This must be reviewed later, as the waiting is annoying.
2021-12-08 14:18:32 +02:00
227aaf4021
Dirty fix of the otherwise non-literal arrays.
2021-12-08 14:09:15 +02:00
0078f4db56
Cython evaluation of "normal" and Ewald-summed SSWF
2021-12-08 14:09:15 +02:00
210ddaa527
ScatteringSystem, ... definitions to pxd file
2021-12-08 14:09:15 +02:00
c4d0700aca
SSWF evaluation functions for debugging Ewald sum.
2021-12-08 14:09:15 +02:00
86d5245ea1
Additional phase factors in Ewald sum for debugging
2021-12-08 14:09:15 +02:00
afda889a39
WIP documentation on phase/normalisation implementation.
2021-12-08 14:09:15 +02:00
fa6d93d3e8
Enable separation of long- and short-range of Ewald sum in python
2021-12-08 14:09:15 +02:00
7e390180cd
Fix prange race conditions.
2021-12-08 14:09:15 +02:00
1158e116d2
"Basis fields" for finite systems.
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There seem to be race conditions in the prange'd cython parts.
2021-12-08 14:09:15 +02:00
414bee6c9f
"Basis fields" for finite systems
2021-12-08 14:09:15 +02:00
24a6ea01d7
Include vlen in the solver (yet another regression from 087cd1c)
2021-09-21 09:59:26 +03:00
50a5aa11a6
Add residual to solver (fix regression from 087cd1c)
2021-09-15 16:46:13 +03:00
a5b137847a
Custom python T-matrix generators
2021-08-22 09:01:16 +03:00
314cde1b99
BaseSpec "constructor" from C pointer.
2021-08-21 19:05:49 +03:00
9d556e7b23
Remove all gsl_matrix_... related code in Beyn.
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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
f19c590d6e
Pure BLAS Beyn: cleanup commented out GSL code
2021-06-11 11:11:17 +03:00
2be3521333
beyn pure BLAS: fix indices and strides
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Also fix amos reference in CMakeLists
2021-06-11 11:11:17 +03:00
64f77557a7
[WIP;BROKEN] Getting rid of gsl linear algebra in Beyn.
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Segfaults in LAPACKE_zgesdd.
Former-commit-id: 39ce2f70e214bfe2fba6f1ec2960139194dbc761
2021-06-11 11:11:17 +03:00
36c5d5236a
Fix CQuat.from_rotvector()
2021-02-08 08:47:40 +02:00
cf2aca7f03
Silent NAN (with warning) instead of crash for singular Bessel at zero
2020-11-17 10:57:16 +02:00
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
ae62cf903d
C99 standard compliance for static const initialisers.
2020-07-23 14:18:07 +03:00
5246229b2d
Code reuse
2020-07-23 10:00:39 +03:00
868e603f1c
Infinite periodic system scattered field "bases"
2020-07-23 07:23:47 +03:00
bf297c11c3
Alternative approach in recursive "Delta" to avoid overflows.
2020-07-21 05:07:23 +03:00
9e42520371
Docstrings, array dtypes, fix _sswk "constructor"
2020-07-20 12:29:37 +03:00
Marek Nečada
Marek Nečada
Kristian Arjas