62ba67ebcf
1D and 2D in 3D notes before typesetting changes
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Former-commit-id: ad258954b036a932e2f46024caee39d02f651222
2020-06-22 05:46:35 +03:00
a0b0d72686
Generic 1D _and_ 2D in 3D LR Ewald formula
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Former-commit-id: 72de2cbfa9ea1803f8c535eee521f204dce30d40
2020-06-21 21:47:34 +03:00
299bb6fc03
Kinda reasonable form of 1D in 3D Ewald.
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Former-commit-id: eb5c54026cff0c2889d32cd2c6288e7be2cbb3e9
2020-06-21 18:59:32 +03:00
cae5cee97d
Ewald 1D in 3D: jdu spát
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Former-commit-id: 7ed762d676c8f7fb1c4988522d3fca51eb66cc9b
2020-06-16 00:35:03 +03:00
827499c3ff
WIP Ewald 1D in 3D notes: partial index fix etc.
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Former-commit-id: 23b253c8179a8f62e05675fdf2fef26dc484790d
2020-06-15 13:12:26 +03:00
0c442ba745
WIP Ewald 1D in 3D
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Former-commit-id: e4a1632ef3b0185b67a24bd93fdff8b3de79267c
2020-06-14 21:49:19 +03:00
a34f3b37d9
Ewald 1D in 3D notes
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Former-commit-id: 771165b42dc07d0681588cf1ee4e047d938c1b45
2020-06-12 16:10:28 +03:00
fec399d16b
Notes on τ vs. σ
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Former-commit-id: 23add1dc0a6d0190e8fd61dceb9e39f7237dd4c8
2020-06-12 10:14:20 +03:00
e2584e3163
Notes: periodic Greens functions vs SWF lattice sums
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Former-commit-id: 342ee89b71d416f4f452222a69d439738d522fab
2020-06-11 16:26:02 +03:00
582f33bb00
WIP examples
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Former-commit-id: 23a04ed4d9edb5dd20ce85015edd158cc9bd75b1
2020-06-07 22:28:21 +03:00
ecf599bb15
WIP hexarray modes example
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Former-commit-id: 21c5b46f776d93af936888f46171961fd014489f
2020-06-06 20:44:52 +03:00
d3cd9b9350
Notes
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Former-commit-id: 9b937886f9af544792bc51830d78f1cc785818bc
2020-06-04 13:39:38 +03:00
90458af3be
Don't pass XYONLY flag when it's not XYONLY
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(Caused assertion failed.)
Former-commit-id: 9765414f6c91b114cd84562d5587e586e1e244b3
2020-06-01 16:37:12 +03:00
6009de6fa2
Evaluate scattered electric fields in 2d-periodic system.
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Former-commit-id: 36386215f9d330a3047cb9a294ccc1de55f2121f
2020-05-31 16:34:09 +03:00
3046f03734
PGen_shifted shifted point metagenerator
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Former-commit-id: 031bc6609e5cb316fd036c5e82c89e9c4fe6bf20
2020-05-31 13:30:34 +03:00
61a2baecb0
Constant factors in general (off-plane) Ewald 2D-in-3D sum
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Former-commit-id: a8224c69682b765a36988ee62e399d97cd979f2c
2020-05-30 22:39:20 +03:00
97977dbb46
WIP Ewald 2D in 3D general z != 0 constant factors.
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Former-commit-id: 787689f357bd8670948ba8ce7d8dc1205ca77d0f
2020-05-29 15:55:52 +03:00
975d23b557
Branch selection for Δ_n in Ewald sum
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Former-commit-id: 6c3d6e6aa9010bb66975f65397b8a061fac1b5ef
2020-05-28 13:13:08 +03:00
c50f40a747
Implementation of the Δ_n factor as a series; error estimates.
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The error estimate for the recurrence approach is buggy.
Former-commit-id: f5183eaacf6a592461f07f72e04d346a42f9fca6
2020-05-27 15:52:13 +03:00
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
Marek Nečada
Steven G. Johnson