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 |
|
Marek Nečada
|
e11f995b52
|
Scalar m,n indexing to allow n = 0.
Former-commit-id: 4b6f2f3611a00e2019b54bfe73c407baafdd8355
|
2018-09-05 12:39:02 +00:00 |
|
Marek Nečada
|
16ce3a6ba8
|
Sigma0 ready, it's time for writing some tests.
Former-commit-id: 956254dcd4c337374d945465ff228fc40595fc3e
|
2018-09-05 11:09:22 +00:00 |
|
Marek Nečada
|
03ab9755a5
|
ewald.c compiles
Former-commit-id: 7bcd240f3d9b5aba233550e4242736e700f96c35
|
2018-09-05 07:58:13 +00:00 |
|
Marek Nečada
|
858e997981
|
Ewald short-range part etc.
Former-commit-id: 181d2da97f80dfcbe942d27819d831895a2df263
|
2018-09-05 09:07:03 +03:00 |
|
Marek Nečada
|
f3a0ae6283
|
Small addition in ewald notes on the sign of m.
Former-commit-id: 7034142a9d9fd4fd0de272bb30f816385ee31183
|
2018-09-03 20:56:27 +03:00 |
|
Marek Nečada
|
fb7b84e066
|
Note about argument order in translations.h
Former-commit-id: 38214dbf55ad1a4cb6b168d8aad9422f000a8cf0
|
2018-09-03 19:49:33 +03:00 |
|
Marek Nečada
|
08f7590f60
|
Some notes about ewald sums in [LT]
Former-commit-id: 96d54a76ac45b5b17e88d41361318ff3ca1cec5c
|
2018-09-03 11:07:17 +03:00 |
|
Marek Nečada
|
83253bfc0c
|
Dudom
Former-commit-id: ce1f24b4b792b797985113d2c76f2191847c91ac
|
2018-09-02 06:19:50 +03:00 |
|
Marek Nečada
|
6c09121a5d
|
SR ewald sum in progress
Former-commit-id: 927486c4e73f5d60dd1f3c94ff5b4878506a5e17
|
2018-08-27 11:39:29 +00:00 |
|
Marek Nečada
|
7c0f285c23
|
Jdunakonferenci
Former-commit-id: e734bb63665d03b986a98e45f937979eacab58c4
|
2018-08-27 10:28:34 +03:00 |
|
Marek Nečada
|
758c37b2b2
|
Ewald summation LR part, stupid.
Former-commit-id: 9795ad00b41e83c30feb027853a13959d8b506ea
|
2018-08-27 09:45:11 +03:00 |
|
Marek Nečada
|
467c82c444
|
A switch safety default statement.
Former-commit-id: 83924f9b7186028b9775fab3e0f1b12ecbc309f0
|
2018-08-27 07:50:37 +03:00 |
|
Marek Nečada
|
ee0086ccf5
|
Ewald sum prototypes
Former-commit-id: 967f344c65508e86373034e2a09932b5e1218d51
|
2018-08-27 07:50:00 +03:00 |
|
Marek Nečada
|
cd937e73eb
|
Rename macros for old "ewald-like" sums
Former-commit-id: 7ac883fff074a19f3418bf78179d7d7135f3fa41
|
2018-08-27 01:13:37 +00:00 |
|
Marek Nečada
|
4d039b6031
|
Malá illustrace effektivity řazení r-ek
Former-commit-id: 12578f504607542b500ce4287cb6341bdb119056
|
2018-08-26 20:28:46 +00:00 |