74f6c489ba
Fix invalid pointer in pairwise translation matrix.
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This caused errors for multi-particle periodic systems.
Former-commit-id: 82e6630e196a1d2d05218519ac296ff1879fc0df
2020-04-12 19:03:37 +03:00
3da6e5cfb2
WIP argproc multiparticle; update misc scripts
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Former-commit-id: 50986e9e57873f8aca1ec7a8aafaa659434a839f
2020-04-12 10:56:07 +03:00
c5c148ca40
Fix eigenvalue matrix dimensions in Beyn.
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Former-commit-id: 4d3b5269df29897ac09632bc0278a99dce2507d8
2020-04-12 00:48:13 +03:00
63aa338891
Fix syntax error which gcc tolerated
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Former-commit-id: 696ccbfad8997a9c8935def2ce4406a21a51dcf8
2020-04-11 10:05:28 +03:00
2ccf9e2c5d
Dummy CPU number hack for systems without the sysconf option.
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Former-commit-id: 5a6b14d97f5a1edfdf1e0e5d058d4f8de794d5fc
2020-04-11 10:01:12 +03:00
dd2391abf7
More multiplatform build of camos
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Former-commit-id: f5dc54acf4757f29339c5f0e250e6cd33a05b9d6
2020-04-11 00:48:37 +03:00
231a76529d
Quit Fortran dependencies, using own f2c'd version of amos.
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TODO doc; submodule init needed
Former-commit-id: 761fc06adffebb05d28a389243771f0bdde70cc0
2020-04-10 23:19:18 +03:00
ba06abe13f
BaseSpec __eq__() and __hash__()
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Former-commit-id: da4245315207dc75a70ca6a036fb8be17e243bf9
2020-04-07 19:32:58 +03:00
3458acca16
Infinite rect lattices script multiple freqs etc.
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Former-commit-id: 8db37dfaf051abf1d6a542eb6ca9b40317848469
2020-04-05 21:41:15 +03:00
3f266f5501
More cdefs from vectors.h
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Former-commit-id: f1aa88cd3e4dbe2bccc1b7c3648cd9afe08da0c1
2020-04-05 02:19:48 +03:00
9b9338be05
Fix critical bug in qpms_vecspharm_fill()
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Pointer incrementation in wrong cycle, leading to numerically
completely wrong results in most cases.
At higher level, this seems to have affected only plane wave
decompositions.
Former-commit-id: 7ebdb8b8f3f645d76e924b86379172d2c6fac8dc
2020-04-05 01:43:38 +03:00
e774b30d0c
Some little docstrings.
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Former-commit-id: 762774a600ca9a02fecba86e6cb6e6992a1d1b05
2020-04-03 21:55:11 +03:00
70d03f75aa
Argproc: waves with polarisation; update finiterectlat-scatter.py
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Former-commit-id: a24428bd19d90ad6d13ab3cfe4d1c0fc406dc451
2020-04-02 18:27:43 +03:00
dc503158bf
Fix axes in finiterectlat-constant-driving.py plots
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Former-commit-id: 03758f3af165209dfc10eff9509ea70eb4699223
2020-03-29 11:35:41 +03:00
a88694e7ef
Make infinite rect lat. / real freq. SVD work with ScatteringSystem.
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Former-commit-id: 56beaeca0b44ca9087208c5e27c007d492572302
2020-03-27 14:48:15 +02:00
8b7e2c6332
Rectangular lattice SVD cut at gamma point, real frequency
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(cherry picked from commit 3fd87de397b5a2228e377e525dabd3e64a641d62 [formerly 57a498625671d8fefccd688fde848ce484f0a6ef])
Former-commit-id: e1b8cab071a5ba2b4f0328aba6930981ba1b3293
2020-03-27 12:36:34 +02:00
858e7d0697
finiterectlat-constant-driving: display real x, y dipoles
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Former-commit-id: 19bca93c6868a824a3cabb2fcba821a6d6846b1b
2020-03-27 01:18:53 +02:00
a14d0e5bc4
Various fixes to finiterectlat-constant-driving.py
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Former-commit-id: d4ef9a96dfea55ee0c906646d3260ac9ea518dae
2020-03-27 00:10:21 +02:00
ac6e94065a
Finite rect lat constant driving far field "ccd"
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Former-commit-id: 69fc0ebe1eba8701743d6883f877e5df70f4477d
2020-03-26 21:38:58 +02:00
5f729d28a7
Avoid using Stead method from GSL above certain threshold.
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Former-commit-id: aa8012deef69ecce95f203b1b5746cfaa0980806
2020-03-26 19:21:47 +02:00
1b4b397093
Cleanup: eliminate bare abort()s
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Former-commit-id: bb1e4ada19e6bcbf87d6ea1fce0897c4478fb045
2020-03-26 19:19:40 +02:00
20a13cdb2c
Doxygenise qpms_error.h
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Former-commit-id: 9ed5d7c4352fb6e0d9ef3922fd491010e1f8c16e
2020-03-23 21:59:29 +02:00
3ebc1af946
Finer error handling.
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Former-commit-id: f30b79d2cc321fc06030374176f5013ff179ffc8
2020-03-23 12:07:43 +02:00
2798fcce49
Replace abort() calls with custom macros in vswf.c
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Former-commit-id: 43f374a0973d6f0f1d4f7edaba6fcf229223a9cc
2020-03-23 12:04:32 +02:00
c031d65905
Allow different Bessel kind in scattered_E
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Former-commit-id: afbc59cf542daec6e89d4a48f01acfb7e515819c
2020-03-23 12:01:04 +02:00
3c7377e5fe
Update test programs to current API.
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Former-commit-id: 199c0a0010eea1becce6297186ea06e93c2de6cd
2020-03-21 21:16:24 +02:00
b3d15a1bb7
Alternative implementation of qpms_scatsys_scattered_E()
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For testing purposes. Seems to work OK.
Former-commit-id: 897e687d27dbd81b2aaac17fb8f19bc4257dc887
2020-03-21 18:49:28 +02:00
aa82b3a01a
Fix allocated array sizes.
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Former-commit-id: 7183f7f104df3af58d994d5e485b59cebb4365b3
2020-03-21 16:31:41 +02:00
35ffc61faf
Scatsystem scattered E field methods
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Former-commit-id: 6521916a81a7c8022bfaefb7102ae657eef99516
2020-03-21 08:11:16 +02:00
b00a6db4cf
Fourier plots to finiterectlat-constant-driving.py
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Former-commit-id: acc04df5ed36e038a56a3da1cf5503eddf612313
2020-03-18 11:20:44 +02:00
301a0e0633
Better plots for finiterectlat-constant-driving.py
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Former-commit-id: 136b3f8d8b6b18d49f4f99704d1bc3d231dc8808
2020-03-18 10:18:13 +02:00
433be52bbc
Fix ScatteringSystem.fullvec_poffsets
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Former-commit-id: 5a186bb4c22474124ab34d3fd6d5920587b0514d
2020-03-18 09:34:51 +02:00
4b2e48f459
Reduce tolerances as a workaround for inprecise integration.
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Former-commit-id: bff40ebc4b77a7621b609669ac690475ae0c6fd4
2020-03-18 09:34:05 +02:00
9bf2f6a57a
"Constant per-particle driving" simulation script
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Former-commit-id: 904f576dd76962581d64813eb1a7682b2f4bacc6
2020-03-18 09:32:45 +02:00
15328a3dc9
Minor additions to docs.
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Former-commit-id: f913e5f00c630c15a2ab7a92aba26ba27232eb36
2020-03-13 09:30:38 +02:00
79b805a6aa
Remove pre-Ewald lattice sum related "split-Bessel" functions
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Former-commit-id: 18d1c77460bf1563cab50b3c55d481f8dc696364
2020-03-11 15:02:04 +02:00
57483ac9c8
Fix cython declarations.
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Former-commit-id: f6300c94d19349dabc6e9fc034c405c7179223fe
2020-03-10 16:24:50 +02:00
5270430bfd
xy-periodic lattice Beyn algorithm support in ScatteringSystem
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Gives same results as newbeyn_unitcell 26d6e969, making it obsolete.
Former-commit-id: b1b1b1e2c11f60948efda237388bfdf9b6d689f5
2020-03-09 10:14:40 +02:00
3791db2060
xy-periodic lattice scattering support in ScatteringSystem
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Gives same results as newbeyn_unitcell 26d6e969
Former-commit-id: 112ab071f41ee556716da67219d859c1dc50ac1d
2020-03-06 14:46:00 +02:00
213853e407
WIP cython support for periodic lattices
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Former-commit-id: f679f63941ec8dd597a5ccd140682de889e21807
2020-02-29 01:35:12 +02:00
dd391747bf
Scrap the ss->per flexible array thing to avoid excessive mess.
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Former-commit-id: b430865714557c21764515dd3243ce42be0f800a
2020-02-28 23:46:55 +02:00
78c793fb68
Beyn wrappers for periodic system.
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Former-commit-id: c4c21de7d02af36d35133ff9ef0c426742eab6ff
2020-02-28 21:22:36 +02:00
1fb4e5760a
scatsystem: mode problem matrix for xy-plane periodic systems
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Former-commit-id: 755bb86f966b031861a2338eb97e68111694b1d8
2020-02-28 13:53:53 +02:00
2b628736f0
WIP 2D in 3D -periodic scatsystem
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Former-commit-id: e53b6b1f8361efc6c66260e776688b4e941660ad
2020-02-27 17:03:09 +02:00
f994514aeb
General heap-based lattice point generator compiles, untested.
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Former-commit-id: 8106cf72ad1d96426c2273493499db48d232f642
2020-02-25 17:59:33 +02:00
1e765e3cf6
WIP Binary-heap based arbitrary-dimensional lattice point generator.
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Former-commit-id: 9d58da7295f5918c7758c168a2352cc686efac98
2020-02-25 09:13:47 +02:00
bf49531666
Experimental support for periodic lattices in scatsys "constructor".
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Former-commit-id: 69727f4d415866b948af83c55ed8adb46b651f16
2020-02-14 16:35:55 +02:00
379dc3117e
Move periodic lattice-related stuff into a separate structure
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Former-commit-id: f2f49245a808a592d8f7c6bc7d795ae293d5ae62
2020-02-14 08:25:34 +02:00
2499c739c8
New members to qpms_scatsys_t for periodic lattices.
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Former-commit-id: 94011c64fb1928b20419e628de045dbc762167eb
2020-02-13 23:02:46 +02:00
3fed9396a1
support for TMatrixInterpolator in TMatrixGenerator
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Former-commit-id: ae3849483ca5d45d39ab51f9340d0c3c7a347865
2020-02-13 19:05:11 +02:00
Marek Nečada