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118 Commits

Author SHA1 Message Date
Marek Nečada a4b0022305 scatsystem.h new prototype drafts and misc. 
Former-commit-id: 954f4f82f5fc3932425b696b05dcab88a5566479
 2019-03-07 07:10:43 +00:00
Marek Nečada 328d22de89 Rename ewald3_constants, move legacy code 
Former-commit-id: e83dcfa532f7b8d7345103752aca924a56ad7138
 2018-12-21 19:31:45 +00:00
Marek Nečada 70af55649e New generation ewald sum tests for various geometries – results consistent. 
Former-commit-id: 8228a0f15c3ca03076b7205f64892234c5c6bd5b
 2018-12-11 22:59:55 +00:00
Marek Nečada 4695792772 Test of the new api – results disagree with the old one. 
Former-commit-id: ed09750246bca9a71e810745f443612ea0b989e8
 2018-12-11 11:36:12 +00:00
Marek Nečada 8ce2956911 Dudom; towards general 2D ewald sums 
Former-commit-id: 3e626dd16692d93f4c958ac129b4d9ec91adc07d
 2018-12-10 18:47:27 +02:00
Marek Nečada 2fd17cc697 test_latticegenxyweb.c fix compilation command, add test case. 
Former-commit-id: 08b07d41cd6819ccb272cf3310467e806da9f6fe
 2018-12-10 14:43:11 +02:00
Marek Nečada 47cd2b8c59 Latticegen xyWeb, slightly tested as well. 
Former-commit-id: 1a51ed4080f5a17b797b27fb2425052beacfb687
 2018-12-07 23:11:08 +00:00
Marek Nečada 1b24794baa Refactoring lattice generator API (dimensionality generalisation) 
Former-commit-id: 3eb6623ed298bf1e2a458d15c237e83b3b3cf70d
 2018-12-06 22:30:34 +00:00
Marek Nečada 530270b5af lattices2d.c implement finding the "base vector hexagon" inscribed sphere radius 
Former-commit-id: 075a19b07a8066d31378990470a90c4a7e8689ce
 2018-12-06 20:42:11 +00:00
Marek Nečada 45eadd13db fix z-axis latticegen 
Former-commit-id: ab81c5470a3e8831f3ca38dbed54cf7c5d04ce90
 2018-11-29 16:19:09 +02:00
Marek Nečada 6b88106cce Lattice generator tests. 
... there are bugs to be fixed


Former-commit-id: 2437fc3c1dd76ba5bbe83d082b036758c5ba8ba7
 2018-11-29 15:59:45 +02:00
Marek Nečada ad431b63d8 Copy ewaldshift2.c test to start testing teh new funs 
Former-commit-id: d31a820f22444f9e1421c3f06ef6c91fa9b0be27
 2018-11-24 23:12:21 +00:00
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 5426d5064c yet some "real" tests 
Former-commit-id: f09d2f26f3f36cf2838deaadccd69cce7e8f1906
 2018-09-19 07:17:04 +03:00
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 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 70f1a0a67a Hypergeometric 2F2 for calculating lattice sum errors 
Former-commit-id: eac72db084c3b3bd387115255590df4269aca76f
 2018-09-11 10:07:37 +03:00
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 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 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 4d039b6031 Malá illustrace effektivity řazení r-ek 
Former-commit-id: 12578f504607542b500ce4287cb6341bdb119056
 2018-08-26 20:28:46 +00:00
Marek Nečada e84483b2e8 A stupid shift function for points2d_rordered_t 
Former-commit-id: bbba5408081965d8550d78fed5b7569c5cff95b8
 2018-08-26 19:36:45 +00:00
Marek Nečada 60e1490d74 "Annulus view" for points2d_rordered_t; 
+prototypes for functions inspired by lattices2d.py (not implemented)


Former-commit-id: da46b26573e3fd23b3cb3e8a0fe20c6bc3dff3e6
 2018-08-26 16:30:47 +00:00
Marek Nečada cddedad752 hexagonal lattice generator (gives correct results, 
but valgrind issues some warnings).


Former-commit-id: ea5ced6206d1a75dccb5e72ebb4775ca3d77bfc3
 2018-08-25 12:13:10 +03:00
Marek Nečada bf9faf9783 Triangular lattice gen test update 
Former-commit-id: a38483904bab48ea62c4195a7adb1662f4256565
 2018-08-25 01:16:50 +03:00
Marek Nečada 74dc487732 Fix test 
Former-commit-id: c4fd55d8f4694271bf478e0eb6c4c25c472e6c49
 2018-08-24 08:07:48 +00:00
Marek Nečada e6217bd363 Triangular lattice generator 
Former-commit-id: b3b2bdafacb2cc91b1ebb28ed48b1549451e528a
 2018-08-23 14:18:27 +03:00
Marek Nečada 2f6ab47d2e Mathematica check the incomplete gamma function results. 
Former-commit-id: 0eaac1b86051acdffd08f2861f4470a9030d2eed
 2018-08-20 16:59:39 +03:00
Marek Nečada 7093ff3add fix incomplete gamma for negative x; tests 
Former-commit-id: 688dc830c0b9396ceea7f503783f62d760ccf601
 2018-08-20 16:29:36 +03:00
Marek Nečada f273a46a9a Incomplete gamma functions for complex second arguments (needed in 
Ewald summation)


Former-commit-id: 409630d01d58f8f4e69dceb3cd59af22576acc41
 2018-08-20 15:25:08 +03:00
Marek Nečada 5b1c1a2b27 testy kvadratur - řídící makra 
Former-commit-id: f45885c614269b701c3ef4939fd00af6e3088400
 2018-08-19 10:55:48 +00:00
Marek Nečada 572a5bb4bd New random input data for integral tests 
Former-commit-id: eb1c229e56956ec17f9bb23f1d8f49674d267656
 2018-08-19 06:55:54 +00:00
Marek Nečada 2b0a16f56c Mathematica integration test 
Former-commit-id: 810941fd93cdf9d26668f74f9e2e5941e5102201
 2018-08-19 09:41:24 +03:00
Marek Nečada 3b89f6fbfc Integrals test input values 
Former-commit-id: b11aa3dcc87bbccf77f3e4449c6d0ad6045f9bb4
 2018-08-19 06:37:02 +00:00
Marek Nečada dd95de97f2 Test direct quadrature of the sigma2 integral in Ewald sums. C 
Former-commit-id: 50b7bf83971c9693b59256e6f02b99acb2e84581
 2018-08-18 08:50:04 +00:00
Marek Nečada a9c04937f3 Various uncommitted mods and fixes 
Former-commit-id: a9c5e0b73d23eae4b8b5fe5223f21a391d321b1e
 2018-03-28 18:28:33 +03:00
Marek Nečada 6844108b14 Some progress on the sage implementation/test of the translation coeffs 
Former-commit-id: 6fbd8954fd30bf409d58b8ca555b0b3c47c1c06f
 2018-03-28 18:23:49 +03:00
Marek Nečada 165dc57534 (forgotten file from bessel fn tests) 
Former-commit-id: a41fc91628d7f546236eeded6ee3b3077f326d39
 2018-03-14 16:25:10 +00:00
Marek Nečada fb9bbff4b8 gsl_sf_bessel_jl_array and gsl_sf_bessel_jl_steed_array are inprecise. 
Must do a different implementation.


Former-commit-id: 37da4cf29b5d8706c639a9a3af61653d90ccc37e
 2018-03-14 14:10:11 +02:00
Marek Nečada 3b407ab40a Jdu do práce 
Former-commit-id: ea635a016207ad637a0647127dea650ea650d6d2
 2018-03-14 05:46:46 +00:00
Marek Nečada e8ab2af46e (nefunkční) test besselových fcí 
Former-commit-id: 3d5ce98a7e4ff78f35395a27099ea41e77fd1584
 2018-03-13 16:47:03 +00:00
Marek Nečada e231e095c3 Tiny syntax fix in transcoeff_cruzan.py 
Former-commit-id: abae90fa70da869a8cb43336dc99eb31821b61a1
 2018-03-07 20:22:29 +02:00
Marek Nečada 6474ceff0b Testing translation coefficients – found some irregularities. 
Former-commit-id: 1f4791f3c6447de48229ccc4eb5a59c6cd7a2968
 2018-03-07 18:44:32 +02:00
Marek Nečada 4226ed86cd Fix sage B coefficients 
Former-commit-id: 3c1f08ffdd12b5a0ceb0a0ccd5072512df0a2dc1
 2018-02-28 11:49:41 +02:00
Marek Nečada a9580b7fd4 symbolic calculation of translation coefficients in SageMath 
Former-commit-id: 13aa0ed33d8ecd85bcb4952cbd303a7d2bba4634
 2018-02-26 05:21:46 +00:00
Marek Nečada 93ac5730b2 gaunt coeff generators mathematica 
Former-commit-id: 43fb56d338faf193083035ab4ae4da115ca0bbaf
 2018-02-13 01:45:26 +02:00
Marek Nečada 85ef4d7a70 Precompiled tabulated version of gaunt coeffs + tests. 
Former-commit-id: 3fdd540ca817b1d5cc576b54baa3e8f42bd958ce
 2018-02-12 23:39:51 +00:00
Marek Nečada d406b8abb1 "Exact" gaunt coefficients with mathematic 
Former-commit-id: 412f86320710acb3d6a3edfb2e560c09b4371976
 2018-02-12 19:58:06 +00:00
Marek Nečada 8fb938961f Correct flips for magnetic part. Some tests. 
Former-commit-id: 998f4b8fa5b94447ae75220fbb43c0143d4083a5
 2016-08-09 14:39:45 +03:00
Marek Nečada 30013ac7fa Plane wave test, docs. 
Former-commit-id: 86bdabea5c1a424401d3b93ea98af16bd2e963be
 2016-07-26 00:42:16 +03:00
Marek Nečada a4b160dc41 Skeleton of test test set 
Former-commit-id: 924ef7d968f027768b13e983d8bcac823538f738
 2016-07-22 15:35:41 +03:00