Marek Nečada
|
533c3f70bb
|
Some ndmatrix functions
Former-commit-id: 7f0fddbb5cbc2c6c53a04f9416467214953bb613
|
2018-09-30 20:50:23 +03:00 |
|
Marek Nečada
|
cdb3264a48
|
Fix names of D3h irreps
Former-commit-id: 8ba62e17ce473b8d5333f5f2fc762b369fe12b6f
|
2018-09-26 01:17:01 +00:00 |
|
Marek Nečada
|
6a07f6a212
|
More or less finished T-matrix description for hexlaser peper
Former-commit-id: c8e05c42d157909658061fbf6afce23d33be88ac
|
2018-09-25 14:01:46 +03:00 |
|
Marek Nečada
|
33a603db38
|
hexlaser tmatrix text; continuing
Former-commit-id: e349f5b4e7056ef76f6ea2379632718c99ba97e0
|
2018-09-25 11:16:00 +03:00 |
|
Marek Nečada
|
19dce993de
|
hexlaser tmatrixtest continue
Former-commit-id: 772c718caa1e9fbae56b1eb9bb34eb2d710fcefc
|
2018-09-25 09:09:43 +03:00 |
|
Marek Nečada
|
e9a2fe69ff
|
hexlaser tmatrixtest begin
Former-commit-id: 447f43d9535318021948783cf086ceb1847b7469
|
2018-09-25 08:32:31 +03:00 |
|
Marek Nečada
|
798c69de44
|
dudom
Former-commit-id: 4dddd839f153a1a9602b4f4b6c2c85035f6d9d0b
|
2018-09-24 00:21:15 +03:00 |
|
Marek Nečada
|
95eaea1b4b
|
Function argument name fix
Former-commit-id: fc94fe122c9c8e9eb3f0a0b125db79a0a238fee7
|
2018-09-22 23:05:37 +03:00 |
|
Marek Nečada
|
ea2ec950c9
|
Fix disastrous eta in hexlattice_ewald
Former-commit-id: bfe6f55c6abc193c8c1e9280524d25004fb75217
|
2018-09-22 22:47:14 +03:00 |
|
Marek Nečada
|
a54bd6603d
|
Testing Ewald self-interaction at K
Former-commit-id: d71bb8039c3c612d2795ab06f8eaad3932ffa05f
|
2018-09-22 21:42:04 +03:00 |
|
Marek Nečada
|
3236c1e4b7
|
Irrep generating function to a module (end of ipynb copy-pasting)
Former-commit-id: b98580074f2d00ff5ae2356e08b9ab189cd567ed
|
2018-09-22 04:29:30 +03:00 |
|
Marek Nečada
|
dba2b9d104
|
Fix hexlattice ewald kin option
Former-commit-id: 306c547053b53c594029142095ff3649380e7ab0
|
2018-09-19 22:02:20 +03:00 |
|
Marek Nečada
|
e5412da897
|
Fix W data processing
Former-commit-id: e2884d0702f8fc5bd5e6d8c238cb60d13386a515
|
2018-09-19 20:48:28 +03:00 |
|
Marek Nečada
|
726e5615af
|
Wdata python processing and loading
Former-commit-id: 7c93e51efc4df0410e34c1a1770192581bf17190
|
2018-09-19 19:23:10 +03:00 |
|
Marek Nečada
|
2b384a48bf
|
Fix output formatting
Former-commit-id: 46d0fc02ccb211377982508a6618af9cc0882882
|
2018-09-19 18:41:35 +03:00 |
|
Marek Nečada
|
f45b11928e
|
Hexlattice ewald macro option to read k vectors from stdin
Former-commit-id: d0d48d789344b52a272540283bc142f4186aae1b
|
2018-09-19 12:41:23 +03:00 |
|
Marek Nečada
|
12c92a6423
|
Fix singular term
Former-commit-id: 33a368c7126d4a8dfa5bdebaae3e70badfd6c2f5
|
2018-09-19 10:23:18 +03:00 |
|
Marek Nečada
|
fa1cee6c17
|
Alternative omega input
Former-commit-id: 989c292b09077cec1acd590e5b4ca914352925d2
|
2018-09-19 09:44:41 +03:00 |
|
Marek Nečada
|
1cbaf2d993
|
Deanonymise struct types
Former-commit-id: 1df0bbb2bb903cf28e5e5f4a890bda4f9e351182
|
2018-09-19 09:17:04 +03:00 |
|
Marek Nečada
|
1f7ac7c1c1
|
New hexlattice_ewald.c with real ewald sum
Former-commit-id: cb398312fcb1d78f39cc374e3171e216d7604f90
|
2018-09-19 09:16:38 +03:00 |
|
Marek Nečada
|
5426d5064c
|
yet some "real" tests
Former-commit-id: f09d2f26f3f36cf2838deaadccd69cce7e8f1906
|
2018-09-19 07:17:04 +03:00 |
|
Marek Nečada
|
6a58a89628
|
Fix function identifier in header
Former-commit-id: 5b0aea4345302a9dab3acae58c67962553d95251
|
2018-09-19 03:17:45 +00:00 |
|
Marek Nečada
|
803f1525b4
|
Ewald A, B coefficient calculator (for arrays).
Former-commit-id: ae5fffb48a91a70dfd89c8caa82914801250dcd3
|
2018-09-19 03:12:35 +00:00 |
|
Marek Nečada
|
f660107925
|
Ewald summation – stupid implementation of alternative lattice sums
Former-commit-id: de2830e9e5b65fd679fcf5fd1e8ec3e13dba116a
|
2018-09-18 10:37:07 +00:00 |
|
Marek Nečada
|
68c1bf711a
|
ewald.c: type qualifiers
Former-commit-id: d1436642545f21bf3bf4a74f4365ece45b3a5c7d
|
2018-09-15 18:32:49 +00:00 |
|
Marek Nečada
|
169c091806
|
Shifted lattices now consistent, TODO check overall shift sign and fix LR declarations
Former-commit-id: ff8a3a0b93447566a605bc7fe6ddbfe34dec3cd2
|
2018-09-14 21:10:10 +00:00 |
|
Marek Nečada
|
182dfa84ca
|
Ewald sum of shifted lattice test (not working, apparentlyg)
Former-commit-id: f7966c2fb9df37bb45c77b6107518930bb631943
|
2018-09-14 18:15:01 +03:00 |
|
Marek Nečada
|
85fb772c40
|
Testing shifted point ewald sums
Former-commit-id: 0951b2895e4b642aa9ae0365df0b1795fc7ed0b3
|
2018-09-13 06:07:26 +03:00 |
|
Marek Nečada
|
a0da08b637
|
Fix normalisation of test sigma0 factor. Ewald sum working now!
Former-commit-id: e65a370e83c68c6c3553f13312b9280a3413b200
|
2018-09-13 05:32:57 +03:00 |
|
Marek Nečada
|
e204242817
|
Fix branch selection in long-range ewald sum.
Now everything is consistent except for sigma0
Former-commit-id: 86132a0db0604ed8c56f725eb95c5b22a103b804
|
2018-09-13 01:16:13 +03:00 |
|
Marek Nečada
|
0ea6aa8413
|
Fix test ewalds.c for beta > k
Former-commit-id: 123391c39678970764aee603dc619d9d54ebc709
|
2018-09-12 21:10:00 +03:00 |
|
Marek Nečada
|
3d83d174bd
|
Fix points2d_rordered_frompoints last layer r;
dump lattices intests/ewalds.c
Former-commit-id: 1addca6a1c240310e86213c283df4162b2536b87
|
2018-09-12 20:12:49 +03:00 |
|
Marek Nečada
|
5857ade9d1
|
More test values for ewald.
Former-commit-id: a233c84404a48da48dec65189e3de5525954aa18
|
2018-09-11 13:10:25 +03:00 |
|
Marek Nečada
|
2388ed6c99
|
More notes on error bounds.
Former-commit-id: 9da122d292066a6f6f95bddd0a65541aad5ff736
|
2018-09-11 12:44:15 +03:00 |
|
Marek Nečada
|
70f1a0a67a
|
Hypergeometric 2F2 for calculating lattice sum errors
Former-commit-id: eac72db084c3b3bd387115255590df4269aca76f
|
2018-09-11 10:07:37 +03:00 |
|
Marek Nečada
|
417464122d
|
Meze; duspát
Former-commit-id: 1021ca930f01b4a19a18d1f33add25f55d60adbf
|
2018-09-10 22:01:26 +00:00 |
|
Marek Nečada
|
9b3632d5a0
|
Sum upper estimates
Former-commit-id: 8644505403873e1db6c01f106e5d889da8981c62
|
2018-09-10 20:01:49 +00:00 |
|
Marek Nečada
|
84a2b7f64d
|
Fix spherical harmonics for negative m in ewald.c.
Former-commit-id: 960dd721a009e2b2f82c986677c3faa65d36394c
|
2018-09-10 15:28:41 +03:00 |
|
Marek Nečada
|
663a5915dd
|
Print csphase in test output
Former-commit-id: 6cfd97014efd971a64f71c180f30260137a8e2f7
|
2018-09-10 13:02:12 +03:00 |
|
Marek Nečada
|
0426524842
|
konstantisace; dudopráce
Former-commit-id: a146fe83f9dbf17044cc723c325ba70230969e44
|
2018-09-10 05:10:13 +00:00 |
|
Marek Nečada
|
bad8105c9b
|
Fix legendre function indexing. Test pass for even m now.
Former-commit-id: 2bd5bfddc3eab30a0e1e7590d18f31bf5098d54e
|
2018-09-07 20:11:50 +00:00 |
|
Marek Nečada
|
1fca413cab
|
Catch underflows; fix some off-by-one errors. Some test values pass now.
Former-commit-id: 3add9f21ad6fee5d443fafc3a6b2c02f2f8b6524
|
2018-09-07 17:46:07 +00:00 |
|
Marek Nečada
|
fcf836e62e
|
[ewald.c] Fix malloc size
Former-commit-id: a2da5e820d4835e1cf91ab308a63f0aedd431789
|
2018-09-07 12:39:52 +00:00 |
|
Marek Nečada
|
fd6380a085
|
Found some memory-related bug
Former-commit-id: 684f9cbe9f7f8112aff5981215076182051c8235
|
2018-09-06 16:17:28 +03:00 |
|
Marek Nečada
|
5357d53fc5
|
Fix ewalds.c test output; n.b. the current long-range parts.
Former-commit-id: f51675842d53a2ba0c6c2821180c11fe60445257
|
2018-09-06 15:00:38 +03:00 |
|
Marek Nečada
|
dc80d64e5b
|
Fix incomplete gamma error negative sign
Former-commit-id: 427aed40f46b9384a310e801b5d26ca13c73eba9
|
2018-09-06 12:09:25 +03:00 |
|
Marek Nečada
|
1cd4733e85
|
Fix ewald32_sigma0()
Former-commit-id: 969764c516c0e0e8cc928e18447eb5327791d5bc
|
2018-09-06 11:52:54 +03:00 |
|
Marek Nečada
|
adc731029e
|
More test params etc. (still wrong results)
Former-commit-id: 589f4a643ac318f384554b83318355289fdf827d
|
2018-09-05 19:45:28 +00:00 |
|
Marek Nečada
|
d69bd91356
|
Ewald test fixes.
Former-commit-id: e39e837ac508c89b771e6f96b1fb244f2b7b2e05
|
2018-09-05 19:07:41 +00:00 |
|
Marek Nečada
|
b707f65d83
|
Ewald sum first test compiles
Former-commit-id: bb63ffdade407900478c26f2e10bc0ee8efb5154
|
2018-09-05 18:50:02 +00:00 |