c056099d5a
Fix signs in the lattice sum Delta (recurrent formula)
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Former-commit-id: 9cb3df31e5a8b6395252454a0b85f6ce3459a781
2020-05-26 20:25:04 +03:00
93cde82a9a
Notes on evaluating Δ_n factor in the lattice sums.
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Former-commit-id: f6bf3c3167f8c3f48b552e271b99d3b28b4bfc46
2020-05-26 16:00:20 +03:00
626ffd77cd
Wrappers for testing z != 0 lattice sum related special functions.
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Former-commit-id: a6be46f81850b1c01c72ea96c141c92a98f6ace8
2020-05-22 15:44:20 +03:00
85dbf79caa
WIP 2D-in-3D Ewald sum for z != 0
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Not tested; error estimates not yet implemented.
Former-commit-id: d6886f64eb8b7e137abf6f187f8cd75f21a5f591
2020-05-19 17:10:00 +03:00
932f30e9f9
long double literals instead of doubles
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Former-commit-id: 27eb992cbe68aef637a7f71bf2dd0f3431fb1439
2020-05-19 15:52:47 +03:00
43c2de4f35
CMakeLists for Faddeeva
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Former-commit-id: 26b0e909cc50ca962b83d411f67a98f2a21cf259
2020-05-19 15:52:08 +03:00
206f8b65a1
Фаддеева's functions
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Former-commit-id: 9edc05fd17c2571dc607ab9ee2fab591785cd9c3
2020-05-14 15:23:52 +03:00
a7c95d0ee0
Sliced array driving in finiterectlat-constant-driving.py
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Former-commit-id: 72b9caa2a3396606b2aaff8ffcd578702926d10d
2020-05-04 15:26:26 +03:00
4bf3bb1bb1
"slice" argument type in argproc.py
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Former-commit-id: 35117c0a6c09063c41350bb6bc2e07ef2adf97c0
2020-05-03 21:29:10 +03:00
1221012c7b
Fix reciprocal basis (transposition) in argproc.py
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Former-commit-id: 67df0d195ad0b70b508d1019a7d64c2f37689aeb
2020-04-28 12:58:06 +03:00
80efed00fd
Plot empty lattice modes in lat2d_realfreqsvd.py
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Former-commit-id: 119036b35061cf23846028069ca3d154af6cf80e
2020-04-28 12:45:04 +03:00
2f14de7dde
Hex example fix K point position; add real freq SVD
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Former-commit-id: 5c7c1e2099a649e778beebf9382cd527108db5f4
2020-04-27 16:56:31 +03:00
14a5c32202
Adjust eta for each (omega, k) pair to prevent hi-freq breakdown.
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This effectively reverts 0b9129, because it does not make to define
Ewald parameter for just each frequency after all...
Former-commit-id: 6a3df5ecc1eecd6c120a74c70df5b747d593aae3
2020-04-26 17:10:47 +03:00
999dc7f72e
Move MIN,MAX,SQ macros to a common header
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Former-commit-id: 5f2598476b090ca3f9254325c1f69315182c8c30
2020-04-26 17:07:59 +03:00
8ed4bdb683
Separate Ewald parameter for different frequencies
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Former-commit-id: 0b9129fda0224411c2a1d8372fe715db4e071ecd
2020-04-22 16:18:16 +03:00
83e76b1f95
Expose Ewald parameter to Python
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Former-commit-id: dc3e794f0cb146da3ab8d8dd5e46c81997e8bc51
2020-04-21 23:34:49 +03:00
69fd19c019
SVD interval for general 2D lattice
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Former-commit-id: f63e2fbd0d5d4dfd103654ca916f251251ba40a6
2020-04-21 11:56:22 +03:00
2460f3b644
ScatteringSystem: docstrings, avoid crash on underflow
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Former-commit-id: adb2c2b9ec142b881ac722a4fe8188256e8ce589
2020-04-20 17:31:34 +03:00
fe55f4b391
More general script for 2D lattice modes.
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Former-commit-id: 9b734deabc1b010276fe75e59def698c7eb94b65
2020-04-13 08:25:46 +03:00
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
Marek Nečada
Steven G. Johnson