e120464046
Quaternion power to a real exponent.
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Former-commit-id: e8dc72c04813e592dd1c5a0ccff2971374b3c99c
2019-02-25 05:03:11 +00:00
8829f50c53
Fix typedef syntax in vectors.h
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Former-commit-id: 07ab007347ec17d4840755620bc063ef0ec10523
2019-02-22 06:22:56 +00:00
83b8b72578
Quaternions and Wigner matrix elements; untested.
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Former-commit-id: 27dfd620a73f7ec246882863239e96a29c87a867
2019-02-22 05:35:38 +00:00
c5600a8558
qpms_finite_group_t and hard-coded group code generator
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Former-commit-id: dca27ced8fda8b33e86a89fdba802172d71d9c10
2019-02-21 17:38:43 +02:00
f43db34075
T-matrix interpolator.
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Former-commit-id: 3ec46a4afa7b92dd928f0b2156b5403780edd827
2019-02-21 13:27:27 +02:00
f01e9ba34b
scatsystem: Comparing T-matrices
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Former-commit-id: 3f1f012a8c518926ac8515884de898764807d516
2019-02-21 09:40:30 +00:00
29f78b7683
Prototypes for tmatrix interpolator functions.
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Former-commit-id: be2d0c8b9182eb2c805d8e141670f8f16afd4cb6
2019-02-21 05:35:57 +00:00
08ef7ea393
scatsystem in-place T-matrix symmetrisations
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Former-commit-id: b6d744319168f0df3117d066ca3143dd3c58efc2
2019-02-21 05:18:50 +00:00
d31b6c4ced
scatsystem: T-matrix manipulation.
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Former-commit-id: 978a4d3b7de4f3ba3b606e8b6e8c6c7c871ba50a
2019-02-21 03:48:35 +00:00
6da03c6591
Start a new C implementation of finite symmetric scattering systems.
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Former-commit-id: 14e2cd0568e9b65aaceff2b8cf31be544664eab3
2019-02-20 07:57:36 +00:00
a5b6f5ce34
C implementation of the basic point group symmetries in uvswf basis.
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Former-commit-id: c5559425bf62f741dce8f59a8dc603872ee701f8
2019-02-20 00:58:49 +00:00
c0df788628
Doxygen fixes.
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Former-commit-id: 13bb4c452a3bf44c97b6dee53a61921f3029f3f1
2019-02-19 21:41:10 +00:00
2238409046
Prototypes for functions using the new qpms_vswf_set_spec_t (NI).
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Former-commit-id: 26a1d102b4be0b0fa96a04d17a85b6b84c15b705
2019-02-19 21:35:46 +00:00
f5a776ac61
New struct qpms_vswf_set_spec_t for specifying VSWF sets.
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Former-commit-id: 56b44a931e68b57a2c786e69e859b3e0514b8a08
2019-02-19 20:56:53 +00:00
9652a06490
Conversion functions for the new qpms_uvswfi_t type; doxygen.
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Former-commit-id: 2f7f2f537ccd4eaeba2eb7765c42d0ca3549586e
2019-02-19 19:24:49 +00:00
f6a416efcb
Doxygen for qpms_types.h; Doxyfile.
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Former-commit-id: 8af3a719041eb3e1c846e40a66f65bb8dc3691ef
2019-02-19 17:49:18 +00:00
a82b93d140
cdef extern includes to a separate file
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Former-commit-id: 8952eea4fc79afbf76ade34a7ac0123b163d8619
2019-02-18 14:42:44 +02:00
2cd30acd50
TMatrices (M,N) order option
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Former-commit-id: 4daecc846b571ee64bc2f48923a1659d23b05286
2019-02-14 00:07:53 +02:00
bca248e6d5
More variable choice of k in loaded W files
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Former-commit-id: a2f88f9346c23e22e5c1203416ce11a3a7db71a8
2019-02-07 00:36:59 +02:00
c5a82516eb
Merge branch 'master' of necada.org:~/repo/qpms
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Former-commit-id: 02d05da51614f95e6aae4c80da62b6eab940ff62
2018-12-25 22:17:49 +00:00
cab66465ba
Some cpython extern declarations / typedefs.
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Towards accessing the ewald summation functions from python.
Former-commit-id: e384cbf2194f2d51357266ac345bfeace7e02b9f
2018-12-26 00:15:19 +02:00
cac8ee4dfd
Update forgotten struct name
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Former-commit-id: 77c8dcb871ccb11a37be416a0f3bf19b2ee65abb
2018-12-25 23:50:39 +02:00
7fb84d1d02
Some more description of intent in symmetries.h
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Former-commit-id: c5d64a7a203e5e50d9faadf0a085e5b895cf7d78
2018-12-25 22:43:57 +02:00
cee14a69e3
Some "declarations of intent" for new C code.
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Former-commit-id: 552279d756fc30f9138f8fc3a9fbc5f901466547
2018-12-25 22:34:37 +02:00
536301fddc
constants.py: unit conversions
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Former-commit-id: 61ecddf9bb1d4c4a0355bad5edcae435a160aeb2
2018-12-25 22:15:23 +02:00
5fca79fc9e
Using hypot for 2d norm
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Former-commit-id: eb0c5824286c4a56ab5ac068972d13a42aa78838
2018-12-22 03:25:41 +00:00
328d22de89
Rename ewald3_constants, move legacy code
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Former-commit-id: e83dcfa532f7b8d7345103752aca924a56ad7138
2018-12-21 19:31:45 +00:00
fd1aed02ca
Complex k support for new ewald sums.
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Basic tests give good results (only up to rounding error differences
compared to the previous versions), the time increase is almost negligible.
Former-commit-id: 0907517ca94f130a0d8b140ba7b525653e24090f
2018-12-21 19:05:52 +00:00
d2b34f9407
Some preparation for complex k
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Former-commit-id: 62f3bc88de27f43ba82199a2fe221ba60b199e0d
2018-12-21 16:50:53 +02:00
b968b55cfe
Sara rect irrep decomposition
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Former-commit-id: e35e732577bf3dd920ee8a4c8f03523ea313b395
2018-12-17 17:27:31 +02:00
7bf6d1dc7b
Symmetry projection operator generation
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Former-commit-id: 58b0d7b3f2a292c26964571edf159b26f0eef0ed
2018-12-17 16:46:51 +02:00
a5739c6e74
Generalize point group representation code + some useful groups
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Former-commit-id: 086e2142ca248c82999363ecea0555a560113a38
2018-12-17 12:14:18 +02:00
324303478c
W file processing for variable particle number, some convenience funcs.
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Former-commit-id: f75687d81961da077bce21fdfe4f1721173e00b7
2018-12-17 11:03:17 +02:00
665ad09dbb
General 2D vector translation coefficient app.
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Results seem consistent with the prior triangular lattice code
Former-commit-id: 99e2aec5d0662c46c2aaa5e4496033ddbb506042
2018-12-12 12:03:30 +02:00
703d09a566
Fix reciprocal basis in lattices2d.c. New ewaldshift test gives results consistent with the legacy code.
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Former-commit-id: e8c3ab317136614852749fd65a0c1326158eee5e
2018-12-11 22:22:25 +00:00
4695792772
Test of the new api – results disagree with the old one.
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Former-commit-id: ed09750246bca9a71e810745f443612ea0b989e8
2018-12-11 11:36:12 +00:00
3972f0a2e3
ewald.c fix new init memory management.
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Former-commit-id: 582e34027bad4bd1ee017886d3dc2120a8c0bf3c
2018-12-11 11:09:38 +00:00
f3e1e70b62
l2d unit cell area calculation
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Former-commit-id: e714f4fb33669138cb45179f323893b3e996fd78
2018-12-11 06:51:23 +00:00
8ce2956911
Dudom; towards general 2D ewald sums
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Former-commit-id: 3e626dd16692d93f4c958ac129b4d9ec91adc07d
2018-12-10 18:47:27 +02:00
105cf3e993
C lattices: Implement 2D reciprocal basis calculation. Untested.
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Former-commit-id: dcea1aead71341bb5e46457ce9b22abfc8b43800
2018-12-10 18:15:37 +02:00
490e6491d0
Generic ("any coordinate system") union point type
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Former-commit-id: 3ee7def1bed539161ceaf42ecf392871a4cfcdea
2018-12-10 17:10:47 +02:00
47cd2b8c59
Latticegen xyWeb, slightly tested as well.
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Former-commit-id: 1a51ed4080f5a17b797b27fb2425052beacfb687
2018-12-07 23:11:08 +00:00
38a26d074b
xyWeb lattice generator, untested
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Former-commit-id: 23ebe13392f30118d6bc090ca285c8de3b2a4a53
2018-12-07 09:55:45 +00:00
1b24794baa
Refactoring lattice generator API (dimensionality generalisation)
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Former-commit-id: 3eb6623ed298bf1e2a458d15c237e83b3b3cf70d
2018-12-06 22:30:34 +00:00
0719043653
Polar and 2D cartesian coordinate conversions
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Former-commit-id: 0fee2d7c0f9a0f26267887e563ad237efb5be8ed
2018-12-06 22:25:59 +00:00
530270b5af
lattices2d.c implement finding the "base vector hexagon" inscribed sphere radius
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Former-commit-id: 075a19b07a8066d31378990470a90c4a7e8689ce
2018-12-06 20:42:11 +00:00
a06ac73663
Práce na generátorech mřížek... Dudom.
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Former-commit-id: 55eeba3d3325e668ba5da3d1b556eeae406fb687
2018-11-30 16:59:12 +02:00
45eadd13db
fix z-axis latticegen
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Former-commit-id: ab81c5470a3e8831f3ca38dbed54cf7c5d04ce90
2018-11-29 16:19:09 +02:00
6b88106cce
Lattice generator tests.
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... there are bugs to be fixed
Former-commit-id: 2437fc3c1dd76ba5bbe83d082b036758c5ba8ba7
2018-11-29 15:59:45 +02:00
a300ac9e0f
Lattice gen z-axis done, untested
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Former-commit-id: 2b37429596400291b7ce8452fc12c1b9e33ee4c3
2018-11-29 15:26:26 +02:00
394fc3813a
Hexlaser paper fix fig S11 axis label crop
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Former-commit-id: d8cb511a77fd47a9a4dcfc7bbe36381adc79c7e3
2018-11-28 18:11:09 +02:00
be7da65b5a
Wrap function ewald3_sigma_long
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Former-commit-id: b36f1095d792b9bfd54d28fa9d0da5de0da0ba3f
2018-11-24 23:10:32 +00:00
0c55595d08
Implement LR part of 1D in 3D Ewald sum along z-axis; compiles, untested
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Former-commit-id: 2a9b972dc012401c08758ee768667dfd3a3882c4
2018-11-24 12:51:57 +00:00
b90bf2875b
Práce na 1D ewaldovi; du dom.
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Former-commit-id: dbecec91884dd005a2001c71d4bbe50de74fc8d0
2018-11-22 16:49:37 +02:00
577a4a5a28
Duspát
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Former-commit-id: 03503b9541198b86495636cef73271f5cce1d759
2018-11-22 00:02:31 +00:00
de316bdfb1
Forgotten header file commit.
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Former-commit-id: 68c61076080110267e3ee7cd5cfaab68313ccf3f
2018-11-21 19:42:17 +00:00
c7c9dc52b0
General 3D Ewald short-range part now compiles.
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Unchecked, untested.
Former-commit-id: 40c10a0eef6575cd29e95be5a0908e28c24ded1d
2018-11-21 19:41:20 +00:00
11f380170a
Half-implemented the general short-range part of ewald sum in 3D,
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unchecked, untested, dudom.
Former-commit-id: b3551114b8c7136e378feb6dc78cb575a5bfc162
2018-11-21 19:49:07 +02:00
c00855a1e6
dudom
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Former-commit-id: 9584e40968c45c3acc25e90b51d28a1bb28b8f0c
2018-11-14 18:36:15 +02:00
c3a89b24ad
Abstract lattice point generators
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Former-commit-id: 7c2d5d2a94f2888150ea2bad79d4e287a3323061
2018-11-14 15:15:17 +02:00
cffe339c5d
Working on 1D ewald sums
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Former-commit-id: 957a1638d81f80032ee86bfd374004743f230767
2018-11-14 06:37:59 +00:00
2a5dcd3230
Start implementing the nice functions from lattices.h
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Former-commit-id: 4f00c873044ef941e09ccfb5739b35e2a81f01f6
2018-10-11 10:33:53 +03:00
408685c606
Enable processing one-line (single K) Wfiles; plots for hexlaser
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supplementary
Former-commit-id: 0f4027ecc7bcb7780c04fdd13bd7144eb7a1d3e9
2018-10-09 10:13:38 +03:00
156c54f4b3
New fig crosscut image
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Former-commit-id: 0154de34b285cd15b7d720edfb7d7ed3a8e7b7c5
2018-10-05 19:02:06 +03:00
77b4a5053a
Fix projections problems in ipynotebuuks
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Former-commit-id: f5e8fe3da867ec37ee81d7e87ff086c888830f33
2018-10-03 20:26:47 +03:00
c3e234b892
Add yflip possibility to symmetries.py, piecewise loading of Wdata
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Former-commit-id: 2b35cdc1fcf45a56fe5bd5214d4a6e9dc40f3d73
2018-10-03 09:25:05 +03:00
8507b09332
Fix fatal typo in translations.c
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Former-commit-id: 54d8ff3b8cd8f443584bd567e8ba068539e5656f
2018-10-01 17:03:56 +03:00
533c3f70bb
Some ndmatrix functions
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Former-commit-id: 7f0fddbb5cbc2c6c53a04f9416467214953bb613
2018-09-30 20:50:23 +03:00
cdb3264a48
Fix names of D3h irreps
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Former-commit-id: 8ba62e17ce473b8d5333f5f2fc762b369fe12b6f
2018-09-26 01:17:01 +00:00
798c69de44
dudom
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Former-commit-id: 4dddd839f153a1a9602b4f4b6c2c85035f6d9d0b
2018-09-24 00:21:15 +03:00
95eaea1b4b
Function argument name fix
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Former-commit-id: fc94fe122c9c8e9eb3f0a0b125db79a0a238fee7
2018-09-22 23:05:37 +03:00
ea2ec950c9
Fix disastrous eta in hexlattice_ewald
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Former-commit-id: bfe6f55c6abc193c8c1e9280524d25004fb75217
2018-09-22 22:47:14 +03:00
3236c1e4b7
Irrep generating function to a module (end of ipynb copy-pasting)
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Former-commit-id: b98580074f2d00ff5ae2356e08b9ab189cd567ed
2018-09-22 04:29:30 +03:00
dba2b9d104
Fix hexlattice ewald kin option
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Former-commit-id: 306c547053b53c594029142095ff3649380e7ab0
2018-09-19 22:02:20 +03:00
e5412da897
Fix W data processing
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Former-commit-id: e2884d0702f8fc5bd5e6d8c238cb60d13386a515
2018-09-19 20:48:28 +03:00
726e5615af
Wdata python processing and loading
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Former-commit-id: 7c93e51efc4df0410e34c1a1770192581bf17190
2018-09-19 19:23:10 +03:00
2b384a48bf
Fix output formatting
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Former-commit-id: 46d0fc02ccb211377982508a6618af9cc0882882
2018-09-19 18:41:35 +03:00
f45b11928e
Hexlattice ewald macro option to read k vectors from stdin
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Former-commit-id: d0d48d789344b52a272540283bc142f4186aae1b
2018-09-19 12:41:23 +03:00
12c92a6423
Fix singular term
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Former-commit-id: 33a368c7126d4a8dfa5bdebaae3e70badfd6c2f5
2018-09-19 10:23:18 +03:00
fa1cee6c17
Alternative omega input
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Former-commit-id: 989c292b09077cec1acd590e5b4ca914352925d2
2018-09-19 09:44:41 +03:00
1cbaf2d993
Deanonymise struct types
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Former-commit-id: 1df0bbb2bb903cf28e5e5f4a890bda4f9e351182
2018-09-19 09:17:04 +03:00
1f7ac7c1c1
New hexlattice_ewald.c with real ewald sum
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Former-commit-id: cb398312fcb1d78f39cc374e3171e216d7604f90
2018-09-19 09:16:38 +03:00
5426d5064c
yet some "real" tests
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Former-commit-id: f09d2f26f3f36cf2838deaadccd69cce7e8f1906
2018-09-19 07:17:04 +03:00
6a58a89628
Fix function identifier in header
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Former-commit-id: 5b0aea4345302a9dab3acae58c67962553d95251
2018-09-19 03:17:45 +00:00
803f1525b4
Ewald A, B coefficient calculator (for arrays).
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Former-commit-id: ae5fffb48a91a70dfd89c8caa82914801250dcd3
2018-09-19 03:12:35 +00:00
f660107925
Ewald summation – stupid implementation of alternative lattice sums
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Former-commit-id: de2830e9e5b65fd679fcf5fd1e8ec3e13dba116a
2018-09-18 10:37:07 +00:00
68c1bf711a
ewald.c: type qualifiers
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Former-commit-id: d1436642545f21bf3bf4a74f4365ece45b3a5c7d
2018-09-15 18:32:49 +00:00
169c091806
Shifted lattices now consistent, TODO check overall shift sign and fix LR declarations
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Former-commit-id: ff8a3a0b93447566a605bc7fe6ddbfe34dec3cd2
2018-09-14 21:10:10 +00:00
e204242817
Fix branch selection in long-range ewald sum.
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Now everything is consistent except for sigma0
Former-commit-id: 86132a0db0604ed8c56f725eb95c5b22a103b804
2018-09-13 01:16:13 +03:00
3d83d174bd
Fix points2d_rordered_frompoints last layer r;
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dump lattices intests/ewalds.c
Former-commit-id: 1addca6a1c240310e86213c283df4162b2536b87
2018-09-12 20:12:49 +03:00
70f1a0a67a
Hypergeometric 2F2 for calculating lattice sum errors
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Former-commit-id: eac72db084c3b3bd387115255590df4269aca76f
2018-09-11 10:07:37 +03:00
84a2b7f64d
Fix spherical harmonics for negative m in ewald.c.
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Former-commit-id: 960dd721a009e2b2f82c986677c3faa65d36394c
2018-09-10 15:28:41 +03:00
0426524842
konstantisace; dudopráce
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Former-commit-id: a146fe83f9dbf17044cc723c325ba70230969e44
2018-09-10 05:10:13 +00:00
bad8105c9b
Fix legendre function indexing. Test pass for even m now.
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Former-commit-id: 2bd5bfddc3eab30a0e1e7590d18f31bf5098d54e
2018-09-07 20:11:50 +00:00
1fca413cab
Catch underflows; fix some off-by-one errors. Some test values pass now.
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Former-commit-id: 3add9f21ad6fee5d443fafc3a6b2c02f2f8b6524
2018-09-07 17:46:07 +00:00
fcf836e62e
[ewald.c] Fix malloc size
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Former-commit-id: a2da5e820d4835e1cf91ab308a63f0aedd431789
2018-09-07 12:39:52 +00:00
fd6380a085
Found some memory-related bug
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Former-commit-id: 684f9cbe9f7f8112aff5981215076182051c8235
2018-09-06 16:17:28 +03:00
5357d53fc5
Fix ewalds.c test output; n.b. the current long-range parts.
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Former-commit-id: f51675842d53a2ba0c6c2821180c11fe60445257
2018-09-06 15:00:38 +03:00
dc80d64e5b
Fix incomplete gamma error negative sign
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Former-commit-id: 427aed40f46b9384a310e801b5d26ca13c73eba9
2018-09-06 12:09:25 +03:00
1cd4733e85
Fix ewald32_sigma0()
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Former-commit-id: 969764c516c0e0e8cc928e18447eb5327791d5bc
2018-09-06 11:52:54 +03:00
adc731029e
More test params etc. (still wrong results)
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Former-commit-id: 589f4a643ac318f384554b83318355289fdf827d
2018-09-05 19:45:28 +00:00
d69bd91356
Ewald test fixes.
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Former-commit-id: e39e837ac508c89b771e6f96b1fb244f2b7b2e05
2018-09-05 19:07:41 +00:00
b707f65d83
Ewald sum first test compiles
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Former-commit-id: bb63ffdade407900478c26f2e10bc0ee8efb5154
2018-09-05 18:50:02 +00:00
e11f995b52
Scalar m,n indexing to allow n = 0.
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Former-commit-id: 4b6f2f3611a00e2019b54bfe73c407baafdd8355
2018-09-05 12:39:02 +00:00
16ce3a6ba8
Sigma0 ready, it's time for writing some tests.
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Former-commit-id: 956254dcd4c337374d945465ff228fc40595fc3e
2018-09-05 11:09:22 +00:00
03ab9755a5
ewald.c compiles
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Former-commit-id: 7bcd240f3d9b5aba233550e4242736e700f96c35
2018-09-05 07:58:13 +00:00
858e997981
Ewald short-range part etc.
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Former-commit-id: 181d2da97f80dfcbe942d27819d831895a2df263
2018-09-05 09:07:03 +03:00
fb7b84e066
Note about argument order in translations.h
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Former-commit-id: 38214dbf55ad1a4cb6b168d8aad9422f000a8cf0
2018-09-03 19:49:33 +03:00
83253bfc0c
Dudom
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Former-commit-id: ce1f24b4b792b797985113d2c76f2191847c91ac
2018-09-02 06:19:50 +03:00
6c09121a5d
SR ewald sum in progress
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Former-commit-id: 927486c4e73f5d60dd1f3c94ff5b4878506a5e17
2018-08-27 11:39:29 +00:00
7c0f285c23
Jdunakonferenci
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Former-commit-id: e734bb63665d03b986a98e45f937979eacab58c4
2018-08-27 10:28:34 +03:00
758c37b2b2
Ewald summation LR part, stupid.
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Former-commit-id: 9795ad00b41e83c30feb027853a13959d8b506ea
2018-08-27 09:45:11 +03:00
467c82c444
A switch safety default statement.
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Former-commit-id: 83924f9b7186028b9775fab3e0f1b12ecbc309f0
2018-08-27 07:50:37 +03:00
ee0086ccf5
Ewald sum prototypes
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Former-commit-id: 967f344c65508e86373034e2a09932b5e1218d51
2018-08-27 07:50:00 +03:00
cd937e73eb
Rename macros for old "ewald-like" sums
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Former-commit-id: 7ac883fff074a19f3418bf78179d7d7135f3fa41
2018-08-27 01:13:37 +00:00
e84483b2e8
A stupid shift function for points2d_rordered_t
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Former-commit-id: bbba5408081965d8550d78fed5b7569c5cff95b8
2018-08-26 19:36:45 +00:00
60e1490d74
"Annulus view" for points2d_rordered_t;
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+prototypes for functions inspired by lattices2d.py (not implemented)
Former-commit-id: da46b26573e3fd23b3cb3e8a0fe20c6bc3dff3e6
2018-08-26 16:30:47 +00:00
cddedad752
hexagonal lattice generator (gives correct results,
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but valgrind issues some warnings).
Former-commit-id: ea5ced6206d1a75dccb5e72ebb4775ca3d77bfc3
2018-08-25 12:13:10 +03:00
91523005fb
Shifted triangular lattices
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Former-commit-id: 5d37f291890930d0b3ed6cbcec16ec6eba6077c6
2018-08-25 01:13:27 +03:00
883926daac
Triang lattice generation fixes; now finally working
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Former-commit-id: 27a609231d8a262ebbf93e68f400c664480f5f06
2018-08-24 10:54:49 +03:00
d9285c28dc
Triang. lat. gen. fixes
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Former-commit-id: f1bd8375c4a1e10aa922dfa922a18eaa22fe07ce
2018-08-23 14:33:03 +03:00
e6217bd363
Triangular lattice generator
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Former-commit-id: b3b2bdafacb2cc91b1ebb28ed48b1549451e528a
2018-08-23 14:18:27 +03:00
ca454669d1
Dudom doopravdy
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Former-commit-id: bc76e84f71750f47f07a3a08bf49044dc9f1ae70
2018-08-22 19:22:11 +03:00
ec7edda67e
Unfinished generation of equilateral triangular lattices (dudom).
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Former-commit-id: 4cc4da2e9755c279aba0d14c296f76de2cbebd04
2018-08-22 17:14:07 +03:00
4e7bc364ac
Lattice sum constants fators
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Former-commit-id: 0337b5e459ad57ca81c4c903f1bc4446ec7e5566
2018-08-21 15:13:42 +00:00
7093ff3add
fix incomplete gamma for negative x; tests
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Former-commit-id: 688dc830c0b9396ceea7f503783f62d760ccf601
2018-08-20 16:29:36 +03:00
f273a46a9a
Incomplete gamma functions for complex second arguments (needed in
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Ewald summation)
Former-commit-id: 409630d01d58f8f4e69dceb3cd59af22576acc41
2018-08-20 15:25:08 +03:00
6314a21eb0
Note smash stacking bug
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Former-commit-id: 6b73fbac57463b6f391fb73dfd243692b2434690
2018-05-18 07:12:15 +03:00
fb78c7fa48
Check argc
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Former-commit-id: 11ffbe17d94708b8755f3a228040e723c987b248
2018-05-17 23:12:52 +00:00
c4a6841973
Fix filename
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Former-commit-id: cbea92bd158077948efb2a8ec933e01fd4132822
2018-05-18 01:59:13 +03:00
f42cdb8f6b
Calculating W with "smarter" I/Owq
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Former-commit-id: 4155eaf7aab80dc121976555f8595f7c1549af84
2018-05-17 22:22:11 +00:00
7c55453287
fix k loading in loadWfile
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Former-commit-id: 93cc473f2bfd4229a5290ede85b3cd4b78b50694
2018-05-17 20:15:08 +03:00
6049c8425f
Loading Ws files
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Former-commit-id: 6d72c394d5b5817efc8ecbdcb5add071111bbf2d
2018-05-17 13:00:44 +03:00
294ed51075
Preciser name
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Former-commit-id: e0df33a7873d52adb6e2a73c3c94f1d94a699371
2018-05-17 06:04:03 +03:00
a7e74d7bf4
Minor tweak
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Former-commit-id: 3e8bcfa06b17bd6defa0a60f0f394d9ef4cf14a8
2018-05-17 06:02:05 +03:00
d00ffb2de2
Loading W lattice sums in python
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Former-commit-id: 041c0d9b2c2be5f9392b09a1a22ef0300a1555cc
2018-05-17 06:00:01 +03:00
cbab332c34
loading tmatrices from the new scuff-tmatrix versions
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Former-commit-id: fe8b6c63e859ea18cf3415deee38258aa7bde50c
2018-05-16 21:04:15 +03:00
12f9191a09
Test the translation operator array function
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Former-commit-id: b2ccef5adc99d27e24e730b817ce40ae0c98d4c2
2018-05-16 13:01:14 +03:00
961baedc61
Test array version of translation functions -- incomplete.
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Former-commit-id: 191be54debe2306df7133ac4f48202e94e87cfa2
2018-05-16 05:05:20 +00:00
1cc1793f57
Fix memory corruption, python package installability
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Former-commit-id: d9d89ff20b67132e8d88d55b206a8856a395f1f2
2018-05-15 14:37:05 +03:00
65e8271feb
hexlattice_ewald: už to něco robí
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Former-commit-id: c55716f7ac150413bd0c5891eba4995ea521fffe
2018-05-15 11:03:33 +03:00
81803d16a4
Hexlattice ewald summation compiles
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Former-commit-id: 4bdbd08da64527e77926f66656ef1b0b81546cdb
2018-05-15 01:47:07 +00:00
2b00af241e
More 2d vectors features
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Former-commit-id: d260aeb125cbefaefcadd375c148ce06e8ba96be
2018-05-14 23:15:29 +00:00
8123af47b3
Triangular lattice generation
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Former-commit-id: b747cba4af2cd1fefe5420a551d3524cc184adca
2018-05-14 20:05:31 +00:00
5365ae97d5
hexlattice ewald: lattice generation
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Former-commit-id: 1b7494125603332d5bb2ffb3e607095452661c50
2018-05-14 18:38:49 +00:00
120a18a514
Kahansum fix header
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Former-commit-id: 1679d5170dedf5ef3218182b9e57e8f4f56c4737
2018-05-14 18:35:28 +00:00
4bfd0ce717
Some 2d cartesian vector functions
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Former-commit-id: f5de4b53cee352d5c1866dfc0a771f462b50af7a
2018-05-14 18:00:38 +00:00
41366c175d
Translation operators long range part fourier transform
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Former-commit-id: 7c5e6f557f3334f42e0b3bd955aafdefa775e863
2018-05-14 17:15:12 +00:00
b6e1663619
Fix comments and limits (at least I think it's a fix)
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Former-commit-id: 72f1cddf58f6e6a2e01d1e87174c147c38ead0dd
2018-05-14 15:58:32 +00:00
8bf9a1c54d
Fix besselbuf sizes, start implementing short-range parts.
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Former-commit-id: 7858c87377afe9e6484f6bd906d2fabfb9953945
2018-05-14 10:02:15 +03:00
51d354985f
More comments
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Former-commit-id: f7abe9035ffeae9e5e22c091ca2b0e034d2b5145
2018-05-14 07:40:08 +03:00
2da546f7c2
More comments to bessels.h
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Former-commit-id: b0a922527c704ac1532db6042239bddab641915c
2018-05-14 07:04:05 +03:00
c0f23fce55
./dipdip-dirty stuff moved to ./qpms + comments, asserts and consts
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Former-commit-id: 6005fcf91ca007b7e6d7093d1e82a0a305f28ffd
2018-05-14 06:52:32 +03:00
a22b6b5712
Cleanup
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Former-commit-id: 3a84f7eb73045e4c1ca6e380f9d1746fb9b870c3
2018-05-13 07:18:56 +00:00
1cf7014415
Making reserve in bessel buffers (TODO check the actual size needed later.)
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Former-commit-id: d062dbb2a6cda23678b4557ce510aa0426a2f73a
2018-05-13 07:02:18 +00:00
6a6a3853e1
Fix regression
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Former-commit-id: 89b21f29bdd06afcb3d49a8532d3a0c551f21a22
2018-05-13 00:15:02 +00:00
e9b97ba808
Translation coefficients now correctly account for csphase
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Former-commit-id: 13bf2de0847b57fe8723968e00000a4ea6bfd315
2018-05-12 07:03:34 +00:00
75e0d135d3
csphvec_reldiff version with tolerance
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Former-commit-id: f2ddb1fd9c55aff96b1e9f4145cb93bf255b6318
2018-05-12 06:09:13 +00:00
9bf0736dd4
Fixes in less used functions
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Former-commit-id: c90e785fd2f7a1672447d4d3136ce7c443dc1b8e
2018-05-11 19:13:02 +00:00
e55847425a
different tests of vswf translations
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csphvec_t norm and relative difference functions
Former-commit-id: 39addcec6e5429e82698751427ffca03168569e3
2018-05-11 14:29:58 +00:00
9e2ad963f4
Xu's antinormalisation (broken, though)
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Former-commit-id: 36ce5c8fdb1e63fe790cb40097f22b38fb2dff00
2018-05-09 08:51:41 +00:00
8f6181ced8
[IN PRO6RESS] Xu's antinormalisation
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Former-commit-id: 577e58118d7da93b927035b4e6e91c6c4cdab485
2018-05-08 15:39:12 +03:00
45edb30a62
Split Xu and None.
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Former-commit-id: 3a7198907df8d1cbcb41ad7f0923bc8757183d83
2018-05-07 03:46:55 +00:00
0b4044f267
Fix translation coefficient magnitude for unnormalized waves.
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N. B. this will lead to different numbers than in Xu's tables.
The normalizations "XU" and "NONE" will be hence different
Former-commit-id: 040a39c694e871b487523af73abbf3028ef81576
2018-05-06 21:29:02 +00:00
1665474b3d
Fix translation coefficient magnitude factor for power norm.
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Former-commit-id: 645b9b3517af9d2c2a9ef3e0223307d21f3c89fa
2018-05-06 20:38:33 +00:00
1cf9eac0ba
Revert accidentally deleted code
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Former-commit-id: 0644367bdab1c407898a6e869c21b07f392c9c53
2018-05-06 19:29:20 +00:00
5e45afad38
indent
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Former-commit-id: a56647c77be3363a71248e7ade21dd52b1d515a8
2018-05-06 19:13:10 +00:00
f943cc0cdb
Found a working set of parameters for the VSWF translation.
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Former-commit-id: 3b36597e152bd89e6251e34d549fe1db3ecfd955
2018-05-06 17:34:35 +00:00
430e5b2a6b
Update the Xu table translation test (TODO the .fodt file)
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Former-commit-id: cd4f3cbc1c451a790d2e06691d083e85ceab41fb
2018-05-02 21:17:06 +03:00
20595e0781
Xu Table test of translation coeffs: fix erroneous table entry.
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Change output format
Former-commit-id: dc3dcc3ce9abd84cfbd7107d2953c64fffd219de
2018-05-02 19:47:35 +03:00
34557fe5a4
Move translations table tests
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Former-commit-id: bfb7f991c86f2cb2e25cf7444854d9647ed0f31b
2018-05-02 14:02:39 +00:00
1277faac91
ray plane wave test - fix missing columns
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and it works, so the error is in the translation coeffs...
Former-commit-id: 13ca4eb13352ee7ac899afe359250f54b2783d86
2018-05-02 08:23:26 +00:00
0a7da94b4f
Fix "zero" ray in plane wave test
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Former-commit-id: cd30bf7acb9c68bc325fd60524a3a21df26629bc
2018-05-01 20:13:39 +03:00
7eefd445e0
New test code for plane wave decomposition
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Former-commit-id: 6fc69078608e26184fafdf3f161ff3f084c56aa3
2018-05-01 19:57:02 +03:00
e3713d61a3
Ppfac for the "new" B-coefficient
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Former-commit-id: aea661c0419d2b619e79044960728a225a7f7132
2018-04-26 11:13:15 +03:00
bff06d61d2
fix uninitialised value
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Former-commit-id: 22535c732f1c6ebb7e97b73e32d88149670a9071
2018-04-25 22:38:04 +03:00
fbcd9d12ff
Small fixes
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Former-commit-id: 100df715f56500e605ee77fd86afec8153e3225a
2018-04-25 20:37:34 +03:00
99bea1c9b7
More convenient output order
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Former-commit-id: f71accc9a5bbbaeb2893ef4acbf8ca3664192169
2018-04-25 20:25:08 +03:00
73d76f6e25
fix identifier
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Former-commit-id: 465c243162b27608dee36388d48071143f788a9d
2018-04-25 17:20:43 +03:00
244d6b7037
fix format strings
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Former-commit-id: 04ba94c6f41a94f4b5b90e5dfe5879c3b7533637
2018-04-25 16:25:42 +03:00
eb47cc2e6c
New test approach for the translation coeffs
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Former-commit-id: 26c9ee06f12c3f5b48921be530812707d81826c7
2018-04-25 16:08:55 +03:00
c2ee695633
Fix kahansum init
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Former-commit-id: 306596052fa88952fcb182f69d79315fa9c24020
2018-04-02 20:49:27 +03:00
a9c04937f3
Various uncommitted mods and fixes
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Former-commit-id: a9c5e0b73d23eae4b8b5fe5223f21a391d321b1e
2018-03-28 18:28:33 +03:00
d0890b9d91
dudopráce
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Former-commit-id: 4fd98da0231d2df8a1a8d9ceeca0a8a4ecc1ff1e
2018-03-15 02:26:00 +00:00
e06cdd3171
Dudom. Implementace besselových fcí v chodu.
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Former-commit-id: 63827799543f410dfb1a83cab7ca10287d76f7c2
2018-03-14 17:17:52 +02:00
5b5e77f985
Kahan sums 3
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Former-commit-id: e34f5bbb16a95c4d5517121454a4d5229bcb50c8
2018-03-13 10:57:08 +02:00
ad2815434a
Kahan sums 2
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Former-commit-id: 0d8c588c1770d76fd7db37e003e357f0b1bc4988
2018-03-13 10:54:32 +02:00
cf340560af
Kahan sums 1
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Former-commit-id: e3a1c66347d2bb05162560b526618eb8c248de04
2018-03-13 10:54:07 +02:00
93137b29b3
Replaced (probably wrongly implemented) Xu's B coefficients with Xu/Cruzan B.
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Former-commit-id: ea0f90e263c7e41a60bb1aeda0dc5efa2021b3dd
2018-03-08 10:31:11 +00:00
2cab9c1307
Dudom
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Former-commit-id: ade18052fd1fbc4c02557c8fad65d66ad0272f47
2018-03-08 00:14:15 +02:00
4b7797edaf
"fix" the q ranges for the B coefficients in translations.c
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Former-commit-id: 17084dd0b57cb4271c67d5d95b7e033c3968276f
2018-03-07 21:32:05 +02:00
6474ceff0b
Testing translation coefficients – found some irregularities.
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Former-commit-id: 1f4791f3c6447de48229ccc4eb5a59c6cd7a2968
2018-03-07 18:44:32 +02:00
93ac5730b2
gaunt coeff generators mathematica
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Former-commit-id: 43fb56d338faf193083035ab4ae4da115ca0bbaf
2018-02-13 01:45:26 +02:00
85ef4d7a70
Precompiled tabulated version of gaunt coeffs + tests.
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Former-commit-id: 3fdd540ca817b1d5cc576b54baa3e8f42bd958ce
2018-02-12 23:39:51 +00:00
1a95827149
Test translations. Gives terrible numerical results.
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Former-commit-id: d0315028193ba3e951c2f569d21c62035417327a
2018-02-08 10:23:31 +02:00
1829dcd58d
Xu test more or less working for small n, nu.
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N. B. incompatibility with old Taylor-like translation coefficients
Former-commit-id: 506c15d318b673cc38d0e137efbc55b2687dde7c
2018-02-08 06:23:34 +02:00
d5f47c1844
generalise translations; does not give right values yety
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Former-commit-id: 89262c325c2c2b619d1b5b7b7fd70ef3d02b0c41
2018-02-08 05:01:41 +02:00
e689df15fd
fix broken syntax in translations.c
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Former-commit-id: 46444199859568e0a34bceadef5a017f6bcb7480
2018-02-07 17:33:08 +02:00
de45a9e38c
reorganisation of the code
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Former-commit-id: 2efe6a07fa27aa2a159dfa83959e9580b3f53809
2018-02-07 15:39:41 +02:00
b51b1dc2b5
Wrong radial part of longitudinal waves -> BUGS file
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Former-commit-id: 6144e79efefcb54b43e85b1b3c14ef9d907bb336
2018-02-04 22:23:02 +00:00
4dc151d5b9
Correct plane wave decomposition at origin (wrong elsewhere for longitudinal waves
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Former-commit-id: 4dc70fde23e31828fb959da429d716bd39e84e47
2018-02-04 15:40:13 +00:00
dbc118e712
Plane wave decomposition now works for the transversal part (not yet longitudinal)
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Former-commit-id: 83dadf35d24a66c7576395f6f156f5e7586551cd
2018-02-04 11:43:42 +00:00
6198a992f9
Forgot the test...
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Former-commit-id: 88ae72c3ac9e3c0bda5f80d2ea46440687710e72
2018-02-02 14:23:47 +00:00
f458e94995
Plane wave decomposition compiles but yields wrong results.
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Former-commit-id: 0cfe82f1efe0e68d41a2f4bf315dfac4618cf435
2018-02-02 14:23:15 +00:00
7988b4e942
Dudom
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Former-commit-id: 14be6634a87694d70a8b29a5ddf5ec4399b9c691
2018-02-01 17:04:51 +02:00
00f9f5234a
Jdu do práce
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Former-commit-id: 3be0f5adda5334dae7397d21b6d48835a190632d
2018-02-01 04:40:45 +00:00
2a7015b80b
Rozbil jsem to, jdu domů.
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Former-commit-id: 77490824d9a8f975ec4ebe98d8cfa104093884e4
2018-01-30 01:09:48 +02:00
155859d8a7
Fix edge legendre signs again
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Former-commit-id: 932787e15c101c131bded3ada1034a379da6123c
2018-01-29 17:34:41 +02:00
bd5aacd7d9
Legendre, pi, tau calculation fixes
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Former-commit-id: 98e265cc0c6d73bd3eff3a601096ce84d63cc7a2
2018-01-29 10:13:13 +00:00
92e9622b64
Pi, tau auxillary functions. still bugs in the poles.
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Former-commit-id: 99d550f5ffa03d001f89e41a07e70652105bdc36
2018-01-28 09:18:06 +00:00
3312bc61e2
Práce na vswf ; jdu domů
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Former-commit-id: 112c65dcb0de85908b43cd488c63ac14072dc97e
2018-01-26 15:07:29 +02:00
90cc4065d3
Bessel transform mathematica results etc.
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Former-commit-id: 3dca9d0ccbfefa4c5f3867ce4ba31229646ca2d9
2018-01-15 15:14:15 +02:00
37896ad022
dudom
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Former-commit-id: cffd4c06ee69fb27f3aacb25508bf1e0532cadc2
2017-12-21 06:35:39 +02:00
0df626a194
Rozdělané Legendrovy polynomy por záporná m (jdu spát)
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Former-commit-id: c0a0eba0bdc993de7199e57cc9f8a7c9964667a7
2017-12-18 01:04:12 +00:00
b1f96695ae
Types for vswfs
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Former-commit-id: d868e91fa47206edc345780c009c464d11539ddb
2017-12-17 17:07:19 +00:00
6ef1adb60f
Header cleanup, konvence
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Former-commit-id: 8920ff072be831d081599e0237f4e6a39b3ec659
2017-12-17 16:44:45 +00:00
ef8129d93c
vswf computation (start writing)
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Former-commit-id: 8886648a52b94a21a17e2fede87941a65597d740
2017-12-17 17:46:37 +02:00
bb289a46b9
C indexing functions to separate file, new normalizations in progress
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Former-commit-id: 30b4ab302fe69fedc8c12bdb7b3b35f532cfc35d
2017-12-17 17:42:18 +02:00
55d618143b
separate C header file for types
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Former-commit-id: 0c9797b04726c1d027a1eca96a5a7db3231403fc
2017-12-17 17:02:58 +02:00
f6371b7d34
Přehled zdrojáků
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Former-commit-id: 5ccde8227fefc212f5cdcabfe0f78ea237a0f83b
2017-12-06 22:32:48 +00:00
53e5508642
Mathematica script for calculating the 2D Bessel transforms.
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Former-commit-id: 6371433778d3b7ee2f0a286f2f3e2cbddc53c917
2017-09-11 03:05:49 +03:00
dc633c6d9a
nd generalisation of function for reciprocal basis
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Former-commit-id: a213a1198a65956eeafe0e3249beafc822131497
2017-08-03 08:11:28 +00:00
0b09921bb5
Two conventions for reciprocalBasis
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Former-commit-id: 698fca8df5631e704e4a33dd9871b780f542a130
2017-08-03 08:07:50 +00:00
22b5cfdd49
dudom
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Former-commit-id: 877c2c71178212397cdb72e18f54b9a884fb2951
2017-07-25 17:10:58 +03:00
0fe13cecc2
make TMatrix subclass of TMatrixSpec
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Former-commit-id: 05ac6d2d707c1bc3815ee4bc58cdb56c3603c10f
2017-07-25 10:29:06 +03:00
5ef938ac11
Pseudovectorisation of qpms_p.lpy()
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Former-commit-id: f09d71c52ef73453ee1a49f327a5b52548ce978b
2017-07-20 17:30:24 +03:00
46c67a548e
Pseudovectorised version of qpms_p.vswf_yr()
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Former-commit-id: 00f32b599dc087369fa99eb1bf9207d9901897c2
2017-07-20 17:05:32 +03:00
e0b1b3af55
Pseudovectorisation of plane_pq_y
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Former-commit-id: 4af74647f63a2aa4c669244245dfc4b2cf7a3efd
2017-07-20 16:42:29 +03:00
2451da7b3e
Additional test, exception output
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Former-commit-id: f976b87dae8c38dcfdd810b187fd0089a8287667
2017-07-20 15:58:28 +03:00
83a2d56d41
Basis transform for lattices
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Former-commit-id: 5746d8f6a70c21b0133259c1f936fda96b01cf96
2017-07-20 15:45:52 +03:00
bb3e0630af
introduce TMatrix class
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Former-commit-id: 1c6dea1510a91a498f4abc8fa47dd6f95f397da3
2017-07-19 17:01:22 +03:00
710efdc533
Define python enums for normalization and Bessel function types.
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Former-commit-id: 2dccf7654eec98ce598f82d2d31479dbab459f28
2017-07-19 16:59:33 +03:00
681d3817ff
Define particle / T-matrix specifications as namedtuples.
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Also get rid of separate T-matrix spec sequences.
Former-commit-id: 814df45116c56e638e13d370d5be11330adad722
2017-07-18 16:07:31 +03:00
cff4a2cbf1
tmatrices.py: get TMatrix by CL argument specification
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Former-commit-id: e28bd7f80f64a810a1f2a22534e3fc1a40341dc9
2017-07-12 14:18:37 +03:00
3b6304b348
Move t-matrix op related stuff qpms_p.py->tmatrices.py
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Former-commit-id: 4179c6e8fa960ade08ccac85e035bdc6a9bd16c0
2017-07-12 07:21:49 +03:00
cc4815b861
Fix module path
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Former-commit-id: 6b8d455aae082bde323031b7eb57268701f18c77
2017-07-11 23:45:11 +00:00
d2b3851da5
lattices2d.py ready for (basic) use
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Former-commit-id: f1fbc9a7e44be5a3b3c5c69a6aae35562741c440
2017-07-12 02:09:52 +03:00
f925f2163d
Progress on lattices2d.py; dudom
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Former-commit-id: 0b9f718ce5cfff12f1d044dbf995f51092daf76b
2017-07-11 16:17:33 +03:00
97648ce214
Description of the modules, todos, remove unused imports.
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Former-commit-id: 8fa256520b1fb3fbb69bc65040b0e541b8c38b97
2017-07-11 11:57:03 +03:00
4dbb8f09b0
Working on scripts_common
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Former-commit-id: 830060579114debef9874748618e0dcf3f14882c
2017-07-11 10:48:52 +03:00
e2f9923f31
Jdu do práce
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Former-commit-id: 78742e79ad31d8aa44ac410401c6b5d6a394a188
2017-07-11 06:17:59 +00:00
37122d0b28
Improve range2D + some application argument TODOs
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Former-commit-id: 40d8895058b25b9de8a4b4a47e9a115deaa495e1
2017-06-27 15:51:08 +03:00
ccde3d76df
Wigner-Seitz cell (untested)
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Former-commit-id: fb16e8e607bcf6de8b4049147df649bcfdecd855
2017-06-27 14:50:18 +03:00
3eaa1e49fa
Bravais lattice type recognition
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Former-commit-id: b33c30f31ff08780a60ceb1fdcf011ee6e064e59
2017-06-27 00:22:18 +03:00
fa1802a7bd
Some data sanity checks
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Former-commit-id: 7a7b0433aae0f754098e4d5a014b8c1311377317
2017-05-18 16:06:47 +03:00
43702a00c8
Cosmetics
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Former-commit-id: f7a02a39ae67af4fb835892be4ff8356f3e91c9d
2017-05-17 13:34:54 +03:00
c16e0df2f2
Check lMax > 0; more robust coordinate handling in lattices.py
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Former-commit-id: 9e5ac45158d5c7241427a6148db2d1842dd74cc6
2017-05-17 11:32:17 +03:00
8135121a3e
lattices.py: freeing memory; Cosmetic changes
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Former-commit-id: 2d7e68b0f11d89406807d23e5b18c64900cbf01c
2017-05-16 15:01:20 +03:00
1fa2e70d93
Fix vectorized implementation of ...getSVD
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Former-commit-id: 09bdc607b096859d9679d39d5e08ea71669d3673
2017-05-11 06:31:43 +03:00
12bbb53155
fix of fix
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Former-commit-id: ac535492f048c29382633fbdbe6ee9c3f62a6b73
2017-05-11 04:51:01 +03:00
c80551974b
small fix
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Former-commit-id: 6c87c578e9a443dfd054d44e003402e27067d34e
2017-05-11 04:48:02 +03:00
4b614d8e0b
Vectorization of python ...getSVD version
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Former-commit-id: 47b491c768dd30c86055cbb36ab0f7748a8a5202
2017-05-11 04:38:46 +03:00
a662c885d5
Fix verbose messages
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Former-commit-id: 4c8d6e95e55854925fe3b7c4fd35e9875d7a49ac
2017-05-10 15:40:43 +03:00
7a4887101a
Fix missing index arrays
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Former-commit-id: 17499c3583715bf5365771c60c66ba58f175a67a
2017-05-10 13:44:36 +03:00
d2653e6a6d
New symz_indexarray function, fix hexlatice_zsym_getSVD
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Former-commit-id: 2d42d93b8c7d2e7596127293c622197794fe7f20
2017-05-10 11:45:21 +03:00
3a1f7c95aa
Move time tracking functions to separate file.
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Former-commit-id: ccecc95fd70f36208fa01b3b4d2c7bdd1546ff92
2017-05-10 11:43:11 +03:00
535fb3c3d7
Some cython code cleanup
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Former-commit-id: 187ae611bcd6112caf7b0a0b37223f0bc1836392
2017-05-08 22:17:19 +03:00
92b33d7993
Opravy
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Former-commit-id: 9f8e7ed97e3701ca1b6dc3cbe36dc35ce45fff4a
2017-05-08 22:04:27 +03:00
c1db33fcf6
hex lattice mode svd to separate function
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Former-commit-id: dddd45e135bce176863e70a2256b9906575b9aa8
2017-05-08 21:38:18 +03:00
f41caf6203
Fix of the previous
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Former-commit-id: 74a68bb17f61a875c9f8c852820ac1252a5095cc
2017-05-08 20:20:57 +03:00
d269624b68
Start legacy code cleanup
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Former-commit-id: 6dd209d837466d33e1749114da672a2a08e09f0c
2017-05-08 20:13:34 +03:00
02e34d525b
Function for directly getting hexlattice a,b coeffs without saving.
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Former-commit-id: 0dc9768a7754d407dc733df57eff549ed4ccc53f
2017-05-04 04:18:38 +03:00
205c1316f3
Fix python header include etc
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Former-commit-id: f14e9673df8781be76d86df81394aacee7f557db
2017-05-03 08:43:29 +03:00
0643ff4b3e
Faster versions of hexpoint calculations (work in progress)
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Former-commit-id: 44a7ed6419a966e2d71c258953d1d01dc0ed87ab
2017-05-03 08:23:27 +03:00
2149a9ca71
Axes bugfix
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Former-commit-id: 8c58c30104d142779e698646a46ca950520307c0
2017-05-03 08:08:58 +03:00
b6b701bd42
fix the C version
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Former-commit-id: 470dfcd9336bed06916463770a8a144d67e0fd95
2017-05-03 06:02:01 +03:00
019304dcb4
Rewrite to C (still crashes)
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Former-commit-id: 06dd608b73678c9974d144b6467c94c5d0a9f45b
2017-05-03 05:45:14 +03:00
c599ee839e
Few modifications, did not help...
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Former-commit-id: 47121008c9846d8539d85b367763d950e037a1c9
2017-05-03 05:19:33 +03:00
40809ce90a
The array version of the AB coeff calculation still has bugs.
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rewriting to C
Former-commit-id: c6582a03a8b73b46156416eb0faa3f866e2638ce
2017-05-03 02:22:14 +03:00
2d88a1ef0d
Whole translation matrix: it compiles; untested
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Former-commit-id: 1465a1385a2f318148d7b3a21cbbf2c0391a13df
2017-05-02 00:18:01 +03:00
e2a2100b57
lattices.py using now the c module
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Former-commit-id: 52cecb23a8757726bcac796417ebade8242d687a
2017-04-27 13:12:52 +03:00
796c7d7289
qpms.trans_calculator.get_AB working
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(translations.c needs cleanup, remove duplicate code)
Former-commit-id: e99463b00456030384bf85fd3f782f47d2a44f5b
2017-04-26 14:44:16 +03:00
c41c0d80ff
The calculator module now works in python
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Former-commit-id: 928dc98f6960bd53317a861c2787e197dcb87c88
2017-04-26 14:12:29 +03:00
816771be8d
Computing translation coefficients with precalculated multipliers now
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working
Former-commit-id: 7a7b8fd403f1624661a198119080937193f4a8c7
2017-04-25 22:14:41 +03:00
c44a69c182
Continue writing translation coeff calculator object, etc.
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- Removed unnecessary continue in qpms_trans_single_B_Taylor (it
was there before previously incorrect calculation of q_max),
- for the same reason, the functions no longer crash for
certain indices, so the old tests now pass without artificial
constraints on the indices.
Former-commit-id: 0047fe18596ea006e7a2defb192787572b2a7fc2
2017-04-20 16:25:28 +03:00
3509d4d6ac
Bug fixes
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Former-commit-id: b3b375cec2e2bb0379ab20b36e3c2fef7473f409
2017-04-20 10:31:02 +03:00
da193c1450
something already works
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Former-commit-id: 9b1cfe39ae1453d26db40ad36d649b820d091ee4
2017-04-19 17:43:24 +03:00
261b6686bd
Fix qmax
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Former-commit-id: 64b1e7690c2761168b05c3b87f978e4c9f478deb
2017-04-13 12:43:25 +03:00
22dd5ef874
C implementation of the B translation coefficient.
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Former-commit-id: f7c8930de88c1d62ac99e29e9adda4ca78aa216e
2017-04-13 11:29:38 +03:00
5cf2c97e6b
Fix some problems with nans (invalid arguments of Legendre polynomials), still having some problems with gaunt
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Former-commit-id: e551b05175ee14cd39e489589262dd82a83923fa
2017-04-12 16:12:12 +03:00
34940fc7e9
Koefficient A a testy. Kompiluje, většinou funguje, někdy nan
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Former-commit-id: 3303493088dc8edca027fb93d49d62166e71544e
2017-04-12 14:27:22 +03:00
b8eff3eb77
Dudom
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Former-commit-id: cf2eb302d096612df04c204ca0dcee71a0776672
2017-04-10 13:48:06 +03:00
90a9971eb0
Hlavička pro gaunt
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Former-commit-id: 4405fe435235134338c2c0a53f754490725d501e
2017-04-10 04:03:10 +00:00
e7b7003abd
Now gaunt.c seems 100% compatible with original gevero's code.
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Potential problems (would be present in gevero's code as well)
with input m=1, n=19, mu=-10, nu=42, because alphap1 is „old“ before
zAp4d2)
Former-commit-id: adad053fb0022511ff98f78a7094db4e8639b519
2017-04-04 04:02:04 +03:00
d5bca9f10d
gaunt.c se zkompiluje
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Former-commit-id: cf9a8e0aef20947f0b9e66c5e7b40f822cfa2a93
2017-03-28 15:52:49 +03:00
70dcb594c2
pokračování
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Former-commit-id: a91bbb883f6e9fdee34ac9568ec92070c4c095b7
2017-03-21 06:18:17 +00:00
ae4065d30d
Přepis na „nového“ geverova gaunta
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Former-commit-id: 011e4c2c3a56e464dfa91f135c88dfe9048d3977
2017-03-20 04:56:23 +02:00
ad74b553df
legacy gaunt (gaunt_xu2 from py_gmm/vec_trans.f90) rewrite completed
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Former-commit-id: fd0fdda1084b93dafde6e60f1fe6108a7e4baa1c
2017-03-20 01:58:53 +02:00
a14ed7d972
pokračování přepisu gaunta
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Former-commit-id: 1aa8892516c6f464314cfff68348c4bbb7a2947d
2017-03-19 13:05:33 +00:00
e98a4656ca
gaunt pokračování přepisu
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Former-commit-id: aed3bfd9a4652e79e1619c22b873c82ea3ed17ea
2017-03-17 19:58:50 +02:00
d93346070d
rozepsány vektorové verse přesuvných okeffiientů
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Former-commit-id: 271b875ff3b42a304563cbc8e69ab3ffbdec5b73
2017-03-17 05:19:57 +00:00
ab4466ccdd
initialize T-matrix to zeros when reading from file
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Former-commit-id: a0ce0680a296a019cc254361261a3fceddeec668
2017-02-26 04:50:15 +02:00
042197f978
[hexpoint] some fixes
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Former-commit-id: 2741873a8507d756e95752e41bb1793e9a261219
2017-02-09 07:08:20 +02:00
90c3efe8b0
Loading and unwrapping precalculated translation coefficients.
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Former-commit-id: e15d3e655e613806676940de4516b65c54d3d80b
2017-02-08 12:16:10 +02:00
c3e8dc23f1
Function to precalculate and save hex lattice translation coefficients.
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Former-commit-id: e43dfa30224a4a7d79ee92b0c5ff1856d4f53da9
2017-02-06 09:39:43 +02:00
d76a036c33
Final fix of hexpoints + some ipynb demo.
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Former-commit-id: cf3c5256aef489e0ac813182593a23bce2d6c3d8
2017-02-05 22:38:58 +02:00
af4eb887c4
hex/triangle lattice generator internal constants
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Former-commit-id: 7c581b5e832ee91f0b1bde804233a635f4090975
2017-02-05 18:46:36 +02:00
df90b7b440
Fixes of hex/triangle lattice generators
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Former-commit-id: 85ed2f3c0447a8ddf9551d90df4d97cf87c3f76c
2017-02-05 18:39:32 +02:00
e2e7512b9e
Functions for generating hexagonal/triangular lattices
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Former-commit-id: 5139893ade0c5bfa46c712af3913218158038e37
2017-02-05 17:20:21 +02:00
5b0bd8d099
small fixes
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Former-commit-id: 90d007ae19ad42222c406564adc80b5394703b83
2017-01-11 11:27:50 +02:00
Marek Nečada
Marek Nečada