3a34effe34
Don't import qpms_p in __init__, remove scipy from install dependencies
2022-06-07 06:10:24 +03:00
1aac5de903
Replace scipy.constants with own constants module.
2022-06-07 05:55:36 +03:00
87c2fd24fe
Use detected libraries in CMakeLists.txt instead of hardcoded ones.
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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
aea0afee15
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 11:36:58 +02:00
77a3566aba
Fix MaterialInterpolator memory issue
2021-10-27 23:51:54 +03:00
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
572e15edbb
Merge branch 'python_tmg': T-matrix generators from python functions
2021-08-23 08:42:50 +03:00
b12fc991e5
Custom python T-matrix generator test.
2021-08-23 08:39:27 +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
80ee8b0d53
setup.py improvements
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- 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
087cd1cab3
Merge branch 'beyn_pureblas'
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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
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
7e0d7639e8
Fix tests/CMakeLists amos reference
2021-06-09 13:28:18 +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.
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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
6189918348
finiterect-constants-driving always output the actual ccd_size
2020-09-02 09:30:23 +03:00
031397aacd
finiterectlat-modes.py fix filename pattern
2020-08-03 17:58:50 +03:00
1a4b279eff
Add D2h/D4h choice for square lattices in finiterectlat-modes.py
2020-08-03 14:50:33 +03:00
5285210489
Fix/update finiterectlat-modes.py
2020-08-03 14:36:06 +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
a68e1d8f8c
Fix Ag Drude-Lorentz parameters also in the Python version.
2020-07-08 19:37:13 +03:00
a669e661e3
Fix Drude Parameters
2020-07-08 16:00:33 +03:00
d19a7813f7
Update gitignore
2020-07-08 15:58:42 +03:00
07c2f678b2
Fix finite <-> infinite error
2020-07-04 01:50:00 +03:00
38fca209ef
Some features to enable ScatteringSystem reconstruction
2020-07-03 23:04:53 +03:00
24b5371e18
Remove erroneus "assert"
2020-07-03 20:08:49 +03:00
840744ec97
Provide access to more information in ScatteringSystem
2020-07-03 19:11:06 +03:00
38a4dbfcd7
Set compiler/linker options to make cython parallelisation actually work.
2020-07-03 15:10:15 +03:00
17824b062e
Attempt to parallelize scattered_E cython methods.
2020-07-03 14:20:07 +03:00
1328077490
Ewald sum optimisation
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Avoiding repeated cpow() calls yields more than 5x speedup
in the off-plane case.
2020-07-03 11:46:34 +03:00
f7883a713b
Docs: Add overview of CLI utilities; optimisation TODO
2020-07-02 22:49:12 +03:00
93118cfc07
[cleanup] Great purge of obsolete scripts
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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
fc27320988
[cleanup] Remove obsolete CLI scripts
2020-06-30 19:29:14 +03:00
676240cf0d
Update MathJax CDN address.
2020-06-29 12:36:07 +03:00
7d92f4990b
Cleanup of legacy files.
2020-06-29 09:29:40 +03:00
e0861a7d40
Doxygen annotations of header files.
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Also more politically corrent file name.
2020-06-29 09:14:19 +03:00
87c2b08701
Update README, remove obsolete periodic lattice tutorial
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Former-commit-id: b720e30291768b564b73823c5741fe59ab46ed57
2020-06-26 22:40:00 +03:00
6c79a9116b
Mention submodule in README
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Former-commit-id: 010fe7beb14bef1e56be720e2196716baebc5998
2020-06-23 15:30:21 +03:00
884baca199
Add license
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Former-commit-id: 08424eb61c2af81d2bf7e782ab63dded93c40b32
2020-06-23 15:23:20 +03:00
e0e572db3c
Update features in README.md
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Former-commit-id: bb142ce1812d0d9330f8e60286820aaf105c505a
2020-06-23 15:16:23 +03:00
Marek Nečada
Marek Nečada
Kristian Arjas