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
54315c61c8
Irrep-decomposed scatsys beyn; fix missing FinitePointGroup reference
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Former-commit-id: fa1032eb8fcb8ce1018b69fff5af6375b34115be
2020-02-04 20:19:42 +02:00
cea33ae97c
Beyn algorithm cython wrapper (finite systems)
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Former-commit-id: 7f17e9673b9389fbf444d871e92f9b12e10d875d
2020-02-04 20:19:42 +02:00
b4bd1eedac
Beyn wrappers for finite system, doxygen
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Former-commit-id: 236e802bc92c5fb0984f83b00c77555d5c29430d
2020-02-04 20:19:42 +02:00
68812c9555
Beyn algorithm "cherry-pick" from 'newbeyn_unitcell'
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- Add rank_min_sel argument to beyn_solve() and beyn_solve_gsl()
- Fix order of K and K_coarse evaluation (K_coarse should probably
be removed).
Former-commit-id: 8d2be922f8aa62754d10928f53fa6ab68f00dc8e
2020-02-04 20:19:42 +02:00
d557a99a49
Fix finiterectlat-modes.py obvious errors.
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Former-commit-id: c66c03a09c7264823a420d1f41e076a8064f041b
2020-02-04 16:55:18 +02:00
5176bd5451
Simple finite řectangular lattice mode search script
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Former-commit-id: 39b34d0494ab1888b690345c469221ee8ae88bbd
2020-02-04 16:55:18 +02:00
daf95e799a
Avoid tmgen multiplicities (->slowdown) in ScatteringSystem constructor
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Former-commit-id: 438ba0667e36a7c51b2ac5fe58cf62fea17eb132
2020-02-04 16:55:18 +02:00
c11fe19af3
Remove build type hardcode spec.
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Also add QPMS_NORETURN attribute/macro.
Former-commit-id: 0a3fa2ecb35e8ffcee698c98553577ab2bb513b0
2020-02-04 16:55:13 +02:00
c7c27c4731
Fix memory leaks; use error macros
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Former-commit-id: eee02afb23fe4c2be815c64be3a8bb589506a6e7
2020-02-04 16:55:07 +02:00
609b6e6265
Extract and inline translation matrix reordering procedure.
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Former-commit-id: 327e1ccf9efc26647896db5bbe1a1a4e4d034d3c
2020-01-23 16:16:41 +02:00
0a7bd72004
Minor translations refactoring.
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Former-commit-id: c4617e67be53861dc4080483f1457a6cbe31e2e9
2020-01-23 12:03:54 +02:00
76171179e7
Merge branch 'abstract_scatsystem'
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"Abstract" scattering system for the finite case.
Former-commit-id: 1be9cb6196f660beaca04e8bd998b225cca30e94
2020-01-21 15:07:46 +02:00
bc5a024e86
Fix another stupid bugs
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Former-commit-id: 093b5d5f09ac6a6f9be35fb7e20f73b2ba48f1d6
2020-01-21 11:52:45 +02:00
a2a51d0de6
Fix k-argument related bugs etc.
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Former-commit-id: 72c955f31bcd1bfd9cd714c5b19d038f9c7ec6e3
2020-01-20 17:30:36 +02:00
71852aa017
Fix function name in header.
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Former-commit-id: d9171a27990855ba0bdce741929b445b9688b444
2020-01-20 16:29:10 +02:00
937757cf47
Fix unitialised values, assertion.
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Former-commit-id: ad712e7b88996e636e78350dcd23cfaf611bf0ec
2020-01-20 15:50:23 +02:00
3da4ec6b07
Disable useless compiler warnings.
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(To be enabled again later during code cleanup.)
Former-commit-id: b89a16fad5d13d2f39f550b3e5e2e9b991908821
2020-01-20 12:22:45 +02:00
80a9f8703a
Fix index mismatch
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Former-commit-id: b1077e37785539b055c9d182b35273e321c0eda8
2020-01-17 16:06:51 +02:00
4674fa5844
fix qpms_tmatrix_copy and pointer for comparison
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Former-commit-id: 98d91011109689512ccda2f8aab593909d0555e0
2020-01-16 10:33:04 +02:00
3b6fb71f2e
fix qpms_tmatrix_copy
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Former-commit-id: 42d6e8d194b926da4f2fe766818b72ee6c3b7d70
2020-01-16 10:11:00 +02:00
Marek Nečada