6ee4518bb1
Complex Bessel functions using amos.
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Not working yet, probably because of unset machine constants in i2mach.f, d1mach.f.
Former-commit-id: 94a15b3bbbcb26b21533866c984076aeefcecb5e
2019-03-20 20:48:01 +02:00
12da9f3b5a
Various tests and macro conditions.
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Former-commit-id: ed964c6284d98ed315a442be48b2dab3d7685222
2019-03-13 16:18:47 +02:00
20af81440f
Fixes in vswf spec.
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Former-commit-id: 87e0dbd73de266801c5bed7e8d3e43aaf4a0ed0e
2019-03-10 13:52:12 +00:00
e265c01760
Scatsys full mode problem matrix; wrong result.
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Former-commit-id: d09e4210fa543068e0e6a7df80a1bef134e60ca7
2019-03-09 10:59:26 +00:00
c2bdb09f7d
Translation coefficients with uvswfi
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Former-commit-id: fa02700e9b2dd10a85e1d15c533448f63efb9b93
2019-03-09 07:39:11 +00:00
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
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
cffe339c5d
Working on 1D ewald sums
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Former-commit-id: 957a1638d81f80032ee86bfd374004743f230767
2018-11-14 06:37:59 +00:00
8507b09332
Fix fatal typo in translations.c
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Former-commit-id: 54d8ff3b8cd8f443584bd567e8ba068539e5656f
2018-10-01 17:03:56 +03:00
12c92a6423
Fix singular term
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Former-commit-id: 33a368c7126d4a8dfa5bdebaae3e70badfd6c2f5
2018-09-19 10:23:18 +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
803f1525b4
Ewald A, B coefficient calculator (for arrays).
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Former-commit-id: ae5fffb48a91a70dfd89c8caa82914801250dcd3
2018-09-19 03:12:35 +00:00
83253bfc0c
Dudom
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Former-commit-id: ce1f24b4b792b797985113d2c76f2191847c91ac
2018-09-02 06:19:50 +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
4e7bc364ac
Lattice sum constants fators
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Former-commit-id: 0337b5e459ad57ca81c4c903f1bc4446ec7e5566
2018-08-21 15:13:42 +00:00
6314a21eb0
Note smash stacking bug
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Former-commit-id: 6b73fbac57463b6f391fb73dfd243692b2434690
2018-05-18 07:12:15 +03:00
a7e74d7bf4
Minor tweak
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Former-commit-id: 3e8bcfa06b17bd6defa0a60f0f394d9ef4cf14a8
2018-05-17 06:02:05 +03:00
1cc1793f57
Fix memory corruption, python package installability
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Former-commit-id: d9d89ff20b67132e8d88d55b206a8856a395f1f2
2018-05-15 14:37:05 +03:00
81803d16a4
Hexlattice ewald summation compiles
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Former-commit-id: 4bdbd08da64527e77926f66656ef1b0b81546cdb
2018-05-15 01:47:07 +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
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
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
9bf0736dd4
Fixes in less used functions
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Former-commit-id: c90e785fd2f7a1672447d4d3136ce7c443dc1b8e
2018-05-11 19:13:02 +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
e3713d61a3
Ppfac for the "new" B-coefficient
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Former-commit-id: aea661c0419d2b619e79044960728a225a7f7132
2018-04-26 11:13:15 +03:00
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
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
2a7015b80b
Rozbil jsem to, jdu domů.
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Former-commit-id: 77490824d9a8f975ec4ebe98d8cfa104093884e4
2018-01-30 01:09:48 +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
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
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
Marek Nečada
Marek Nečada