bf04cb32c0
Fix some earlier ewald32->ewald3 renames; disable some legacy code.
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Former-commit-id: 6358a491f1965108a2747a9f48054a0022bcadf6
2019-04-03 16:41:10 +03:00
4212720560
Some docs to get qpms properly running on Triton. Needs an independent tester.
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Former-commit-id: 62510002ceb858f2af0d4712324bb3749b0e904b
2019-04-02 17:46:06 +00:00
c0b2343b89
Try whether Triton behaves better if the parallelized code uses no OpenBLAS.
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Former-commit-id: ac1c17635e2d01d8a14129a90ffb43d3156510fa
2019-03-29 13:17:28 +02:00
652ab6f3ba
Debug message types
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Former-commit-id: 666a031026a363b15c01ca8cdc174fbf152dee8e
2019-03-27 09:25:47 +02:00
eddb8558d8
Fix argument type.
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Former-commit-id: 01b4413c9a09882b7da040bbb2eb6fb6dd0864dc
2019-03-26 15:23:17 +02:00
38bd16f94a
Merge branch 'master' of necada.org:~/repo/qpms
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Conflicts:
misc/201903_finiterectlat_AaroBEC_fatMie.py
Former-commit-id: 6e9130313939be2eec80f4df9a703c8e9cb42456
2019-03-26 13:37:16 +02:00
9b50196ae6
AaroBEC scripts touch files indicating finished job.
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Former-commit-id: 0786fba4eb57bcce086de0f123d53a80606e5bed
2019-03-26 13:35:30 +02:00
2ab4c55e13
Some control over the launched threads in scatsystem.
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Former-commit-id: a67102dcb367b8fe577f9d8896c9a477571c7d6f
2019-03-26 11:33:22 +00:00
f23edf0d71
Default number of threads in scatsystem.c set to 4, debug messages.
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Former-commit-id: da244d95534eabe2be07327ba174467935518a12
2019-03-26 11:54:07 +02:00
5b49dfc8d0
Mie rect lattice script updates
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Former-commit-id: 5ba256ee2f1489ce3bbbcfa9ee7da241bf2bff68
2019-03-25 20:31:40 +02:00
89df52061d
Fixes in the new finite rectangular lattice / Mie particle script
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Former-commit-id: 9e2b2f5987d7984d6adbb2ee364be1e7e4bf648f
2019-03-25 15:33:14 +02:00
4f4d340f0e
Spherical particle version of the finite rectangular lattice script.
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Former-commit-id: f23cb1a92cec73f38cd0d79c90346797e4c16b67
2019-03-24 23:58:32 +00:00
f04ea1d600
Refractive index database into C incomplete draft.
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Former-commit-id: fbfce8297f16400954fa3a1a1d24b980b67d0453
2019-03-24 20:19:55 +02:00
f04fd9496e
Additional functionality to Cython wrappers.
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Former-commit-id: 69c34b8ff0fb2d59ee6e62414e9999f2717ecfa0
2019-03-24 19:30:33 +02:00
8683c69c0e
Cython wrapper over qpms_permittivity_interpolator_t.
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Former-commit-id: 38b362b52a8e8f5b6defca688b0589b25a2dfe22
2019-03-24 14:47:42 +00:00
d7a64f5928
Reimplementation of qpms_permittivity_interpolator_t.
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Former-commit-id: 740c89d441f3970bdd2aa4d64d8707c74e990b0c
2019-03-24 14:28:09 +00:00
115d1d07fe
Material data interpolator + Mie T-matrix convenience functions.
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Former-commit-id: 59c9a53bff38a46e357f091c084655192faddb51
2019-03-20 23:19:29 +02:00
eafd1609a5
Using d1mach.f, i1mach.f copied from scipy/scipy/special/mach/.
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The complex Bessel functions are finally working.
Former-commit-id: 6a1b896fc2cef938cb88bf8dbc6170f501ccf119
2019-03-20 21:02:28 +02:00
6ee4518bb1
Complex Bessel functions using amos.
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Not working yet, probably because of unset machine constants in i2mach.f, d1mach.f.
Former-commit-id: 94a15b3bbbcb26b21533866c984076aeefcecb5e
2019-03-20 20:48:01 +02:00
959bb09526
More CMakeLists.txt additions.
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Former-commit-id: a013013072fc854abcc7e5cc8366e1979ce4d3ba
2019-03-20 14:13:41 +02:00
522a6d9b85
Replace original netlib amos routines with those in scipy.
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Note: apparently, one could also use amos from openspecfun
https://github.com/JuliaMath/openspecfun
Former-commit-id: 77d61fe6486803684201480410021fd173172cc0
2019-03-20 12:28:11 +02:00
e6e7485ebb
Futile attempts with cmake + fortran
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Former-commit-id: da23f12faf79117152e28ef47185968dfddd5594
2019-03-20 09:28:47 +00:00
94259e766b
Add AMOS routines from netlib
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Former-commit-id: c6fe0e468937daa36fe5f6692af5d24d4df3f851
2019-03-19 14:42:47 +00:00
31bab5225f
Initial CMakeLists.txt
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Former-commit-id: a5ddf172f707e94cb7d823750ff0e2bb0524e432
2019-03-19 14:33:44 +00:00
4475cffeba
C Mie T-matrices but demand yet Bessel functions of complex arguments.
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Former-commit-id: 101201f5d72ab0f45eefc09c860b65b6841460bf
2019-03-18 19:54:29 +02:00
2af9b83e35
Move T-matrix -related C code to scatsystem.[ch]
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Former-commit-id: e9a162c14fe5d91281d79d9af08014787cd7ed13
2019-03-18 15:04:21 +02:00
791a46b446
Fix M, N reordering in python T-matrix loader.
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Former-commit-id: dd9709a5c82c19c33877e508a3336dce43c35b67
2019-03-18 09:35:10 +02:00
98da54946c
Parallel mode problem matrix creation.
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Former-commit-id: a81323f6ba53fc5e790e489314bca98f6ae1ca0a
2019-03-18 01:06:04 +00:00
86b87c955c
Fix the alternative order modematrix implementation
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Former-commit-id: 7daaf636ca803565e2a72b03e1ce184ece24e4c0
2019-03-17 23:32:51 +00:00
7db7123c91
Alternative implementation of irrep packed modeproblem matrix.
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Former-commit-id: ed37e98423e03f96f6fb850820bfae451f505f21
2019-03-17 21:49:10 +00:00
96a6fdf7fa
Scatsystem metadata to iterate the particles in the orbit-layout order.
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Former-commit-id: 468f8c3ef64c891ae8f0ef415c6f30a42307d471
2019-03-17 16:46:22 +00:00
3e94b1baec
The quaternions were apparently correct after all (except for the ordering of conjugation in vector rotation).
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Former-commit-id: c233f1501a565ad3bbed5933324a0b821d2d1379
2019-03-15 21:14:59 +00:00
97f87202e1
Fix lowest SV index finding
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Former-commit-id: ac6e4f3539dfa32888497600a8adf603d3587883
2019-03-14 01:34:04 +02:00
ea0b6fb402
Rectangular lattice SVD computation script for the new paper.
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Former-commit-id: 771b278b2eee810892934f379ceefc8554e24946
2019-03-13 23:44:12 +02:00
7ef8e764c7
Deterministic ordering of irreps in generated C structures
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Former-commit-id: 052e894a00d56492af3a8481a355cfff7f84cfa5
2019-03-13 23:13:41 +02:00
51d38798c3
Some useful ScatteringSystem class functionality.
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Former-commit-id: c7ae5dcd3f601b79781b685804dae5262fc2a93d
2019-03-13 22:35:35 +02:00
40caf44a24
Remove unused variables
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Former-commit-id: d1bd6585b5a33d713969ecea3be9a9ffd5ec122c
2019-03-13 18:15:30 +02:00
412d520e13
"Direct" generation of irrep-packed mode problem matrices.
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Former-commit-id: e0833046f2f6052e5e0523dce6047e89d23509ff
2019-03-13 18:13:59 +02:00
a6dcd35b8d
Revert setup.py to standard blas names and increment version.
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Former-commit-id: e98c7ba026caefd85fd42288fb7e1987c96e5ad1
2019-03-13 16:23:23 +02:00
3f32b21730
Merge branch 'fixprojs'
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Former-commit-id: 9e2357e6cc6844360b51a55a8af984dec82167a7
2019-03-13 16:21:45 +02:00
12da9f3b5a
Various tests and macro conditions.
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Former-commit-id: ed964c6284d98ed315a442be48b2dab3d7685222
2019-03-13 16:18:47 +02:00
ddfd4954dc
Fix complex conjugation; now all available point groups seem to work.
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Former-commit-id: 764155cddfd30162b01c6552cea8718d55a26fd6
2019-03-13 15:59:05 +02:00
07aed6feb7
Fix offset increment in matrix packing.
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Now it works for a z-dipole system.
Former-commit-id: 3e4aa9d4736ecc18e561d0ba5c2c19b0a027e37c
2019-03-13 13:24:44 +02:00
d11db980f9
A slow but working reference implementation of matrix (un)packing.
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Former-commit-id: 5f85c4983a8754ebae03980242b896a79954a73e
2019-03-13 12:28:40 +02:00
cc61a64313
Dump parts of the full matrix.
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Former-commit-id: 53b84dc031fab778b089226be8b26d89e6f6a4a0
2019-03-13 11:36:52 +02:00
aee4d2db2a
sss3 dump packed matrices
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Former-commit-id: 5b2f8a4ebe9829d63546ae91e24c25ec5966fe72
2019-03-13 11:24:09 +02:00
6f219b2c84
Dump orbit projection matrices in sss3.c
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Former-commit-id: 57814624995124945704e8a1bfc52273845633af
2019-03-13 08:57:23 +00:00
8cba539684
Tenhle případ rozbíjí rozborku sborku na diagonále.
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(Přitom prohození první a třetí částice v zadání dává správný výsledek.)
Former-commit-id: 0da6fd465c44e803d15164a98dfd6896ff97d363
2019-03-12 23:03:26 +02:00
02ec8804d0
Fix quaternion conjugation order on vector rotation.
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Now it does not crash on C4v and the projectors seem to be indeed
projectors, but the translation operator decomposition is still wrong.
Former-commit-id: 6273c5a76b4e424f77b12514df209b995999b24b
2019-03-12 22:22:02 +02:00
208e05d811
Macro-driven sss2.c test
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Former-commit-id: 493a2c0c5a1149f57752241077d57985cfe9ca69
2019-03-12 21:47:01 +02:00
Marek Nečada
Marek Nečada