Commit Graph

584 Commits

Author SHA1 Message Date
Marek Nečada c7c9dc52b0 General 3D Ewald short-range part now compiles.
Unchecked, untested.


Former-commit-id: 40c10a0eef6575cd29e95be5a0908e28c24ded1d
2018-11-21 19:41:20 +00:00
Marek Nečada 11f380170a Half-implemented the general short-range part of ewald sum in 3D,
unchecked, untested, dudom.


Former-commit-id: b3551114b8c7136e378feb6dc78cb575a5bfc162
2018-11-21 19:49:07 +02:00
Marek Nečada c00855a1e6 dudom
Former-commit-id: 9584e40968c45c3acc25e90b51d28a1bb28b8f0c
2018-11-14 18:36:15 +02:00
Marek Nečada c3a89b24ad Abstract lattice point generators
Former-commit-id: 7c2d5d2a94f2888150ea2bad79d4e287a3323061
2018-11-14 15:15:17 +02:00
Marek Nečada cffe339c5d Working on 1D ewald sums
Former-commit-id: 957a1638d81f80032ee86bfd374004743f230767
2018-11-14 06:37:59 +00:00
Marek Nečada 2a5dcd3230 Start implementing the nice functions from lattices.h
Former-commit-id: 4f00c873044ef941e09ccfb5739b35e2a81f01f6
2018-10-11 10:33:53 +03:00
Marek Nečada 408685c606 Enable processing one-line (single K) Wfiles; plots for hexlaser
supplementary


Former-commit-id: 0f4027ecc7bcb7780c04fdd13bd7144eb7a1d3e9
2018-10-09 10:13:38 +03:00
Marek Nečada 156c54f4b3 New fig crosscut image
Former-commit-id: 0154de34b285cd15b7d720edfb7d7ed3a8e7b7c5
2018-10-05 19:02:06 +03:00
Marek Nečada 77b4a5053a Fix projections problems in ipynotebuuks
Former-commit-id: f5e8fe3da867ec37ee81d7e87ff086c888830f33
2018-10-03 20:26:47 +03:00
Marek Nečada c3e234b892 Add yflip possibility to symmetries.py, piecewise loading of Wdata
Former-commit-id: 2b35cdc1fcf45a56fe5bd5214d4a6e9dc40f3d73
2018-10-03 09:25:05 +03:00
Marek Nečada 8507b09332 Fix fatal typo in translations.c
Former-commit-id: 54d8ff3b8cd8f443584bd567e8ba068539e5656f
2018-10-01 17:03:56 +03:00
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 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 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 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 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 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 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 fb7b84e066 Note about argument order in translations.h
Former-commit-id: 38214dbf55ad1a4cb6b168d8aad9422f000a8cf0
2018-09-03 19:49:33 +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 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 91523005fb Shifted triangular lattices
Former-commit-id: 5d37f291890930d0b3ed6cbcec16ec6eba6077c6
2018-08-25 01:13:27 +03:00
Marek Nečada 883926daac Triang lattice generation fixes; now finally working
Former-commit-id: 27a609231d8a262ebbf93e68f400c664480f5f06
2018-08-24 10:54:49 +03:00
Marek Nečada d9285c28dc Triang. lat. gen. fixes
Former-commit-id: f1bd8375c4a1e10aa922dfa922a18eaa22fe07ce
2018-08-23 14:33:03 +03:00
Marek Nečada e6217bd363 Triangular lattice generator
Former-commit-id: b3b2bdafacb2cc91b1ebb28ed48b1549451e528a
2018-08-23 14:18:27 +03:00
Marek Nečada ca454669d1 Dudom doopravdy
Former-commit-id: bc76e84f71750f47f07a3a08bf49044dc9f1ae70
2018-08-22 19:22:11 +03:00
Marek Nečada ec7edda67e Unfinished generation of equilateral triangular lattices (dudom).
Former-commit-id: 4cc4da2e9755c279aba0d14c296f76de2cbebd04
2018-08-22 17:14:07 +03:00
Marek Nečada 4e7bc364ac Lattice sum constants fators
Former-commit-id: 0337b5e459ad57ca81c4c903f1bc4446ec7e5566
2018-08-21 15:13:42 +00:00
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 6314a21eb0 Note smash stacking bug
Former-commit-id: 6b73fbac57463b6f391fb73dfd243692b2434690
2018-05-18 07:12:15 +03:00
Marek Nečada fb78c7fa48 Check argc
Former-commit-id: 11ffbe17d94708b8755f3a228040e723c987b248
2018-05-17 23:12:52 +00:00
Marek Nečada c4a6841973 Fix filename
Former-commit-id: cbea92bd158077948efb2a8ec933e01fd4132822
2018-05-18 01:59:13 +03:00
Marek Nečada f42cdb8f6b Calculating W with "smarter" I/Owq
Former-commit-id: 4155eaf7aab80dc121976555f8595f7c1549af84
2018-05-17 22:22:11 +00:00
Marek Nečada 7c55453287 fix k loading in loadWfile
Former-commit-id: 93cc473f2bfd4229a5290ede85b3cd4b78b50694
2018-05-17 20:15:08 +03:00
Marek Nečada 6049c8425f Loading Ws files
Former-commit-id: 6d72c394d5b5817efc8ecbdcb5add071111bbf2d
2018-05-17 13:00:44 +03:00
Marek Nečada 294ed51075 Preciser name
Former-commit-id: e0df33a7873d52adb6e2a73c3c94f1d94a699371
2018-05-17 06:04:03 +03:00
Marek Nečada a7e74d7bf4 Minor tweak
Former-commit-id: 3e8bcfa06b17bd6defa0a60f0f394d9ef4cf14a8
2018-05-17 06:02:05 +03:00
Marek Nečada d00ffb2de2 Loading W lattice sums in python
Former-commit-id: 041c0d9b2c2be5f9392b09a1a22ef0300a1555cc
2018-05-17 06:00:01 +03:00
Marek Nečada cbab332c34 loading tmatrices from the new scuff-tmatrix versions
Former-commit-id: fe8b6c63e859ea18cf3415deee38258aa7bde50c
2018-05-16 21:04:15 +03:00
Marek Nečada 12f9191a09 Test the translation operator array function
Former-commit-id: b2ccef5adc99d27e24e730b817ce40ae0c98d4c2
2018-05-16 13:01:14 +03:00
Marek Nečada 961baedc61 Test array version of translation functions -- incomplete.
Former-commit-id: 191be54debe2306df7133ac4f48202e94e87cfa2
2018-05-16 05:05:20 +00:00
Marek Nečada 1cc1793f57 Fix memory corruption, python package installability
Former-commit-id: d9d89ff20b67132e8d88d55b206a8856a395f1f2
2018-05-15 14:37:05 +03:00
Marek Nečada 65e8271feb hexlattice_ewald: už to něco robí
Former-commit-id: c55716f7ac150413bd0c5891eba4995ea521fffe
2018-05-15 11:03:33 +03:00
Marek Nečada 81803d16a4 Hexlattice ewald summation compiles
Former-commit-id: 4bdbd08da64527e77926f66656ef1b0b81546cdb
2018-05-15 01:47:07 +00:00
Marek Nečada 2b00af241e More 2d vectors features
Former-commit-id: d260aeb125cbefaefcadd375c148ce06e8ba96be
2018-05-14 23:15:29 +00:00
Marek Nečada 8123af47b3 Triangular lattice generation
Former-commit-id: b747cba4af2cd1fefe5420a551d3524cc184adca
2018-05-14 20:05:31 +00:00
Marek Nečada 5365ae97d5 hexlattice ewald: lattice generation
Former-commit-id: 1b7494125603332d5bb2ffb3e607095452661c50
2018-05-14 18:38:49 +00:00
Marek Nečada 120a18a514 Kahansum fix header
Former-commit-id: 1679d5170dedf5ef3218182b9e57e8f4f56c4737
2018-05-14 18:35:28 +00:00
Marek Nečada 4bfd0ce717 Some 2d cartesian vector functions
Former-commit-id: f5de4b53cee352d5c1866dfc0a771f462b50af7a
2018-05-14 18:00:38 +00:00
Marek Nečada 41366c175d Translation operators long range part fourier transform
Former-commit-id: 7c5e6f557f3334f42e0b3bd955aafdefa775e863
2018-05-14 17:15:12 +00:00
Marek Nečada b6e1663619 Fix comments and limits (at least I think it's a fix)
Former-commit-id: 72f1cddf58f6e6a2e01d1e87174c147c38ead0dd
2018-05-14 15:58:32 +00:00
Marek Nečada 8bf9a1c54d Fix besselbuf sizes, start implementing short-range parts.
Former-commit-id: 7858c87377afe9e6484f6bd906d2fabfb9953945
2018-05-14 10:02:15 +03:00
Marek Nečada 51d354985f More comments
Former-commit-id: f7abe9035ffeae9e5e22c091ca2b0e034d2b5145
2018-05-14 07:40:08 +03:00
Marek Nečada 2da546f7c2 More comments to bessels.h
Former-commit-id: b0a922527c704ac1532db6042239bddab641915c
2018-05-14 07:04:05 +03:00
Marek Nečada c0f23fce55 ./dipdip-dirty stuff moved to ./qpms + comments, asserts and consts
Former-commit-id: 6005fcf91ca007b7e6d7093d1e82a0a305f28ffd
2018-05-14 06:52:32 +03:00
Marek Nečada a22b6b5712 Cleanup
Former-commit-id: 3a84f7eb73045e4c1ca6e380f9d1746fb9b870c3
2018-05-13 07:18:56 +00:00
Marek Nečada 1cf7014415 Making reserve in bessel buffers (TODO check the actual size needed later.)
Former-commit-id: d062dbb2a6cda23678b4557ce510aa0426a2f73a
2018-05-13 07:02:18 +00:00
Marek Nečada 6a6a3853e1 Fix regression
Former-commit-id: 89b21f29bdd06afcb3d49a8532d3a0c551f21a22
2018-05-13 00:15:02 +00:00
Marek Nečada e9b97ba808 Translation coefficients now correctly account for csphase
Former-commit-id: 13bf2de0847b57fe8723968e00000a4ea6bfd315
2018-05-12 07:03:34 +00:00
Marek Nečada 75e0d135d3 csphvec_reldiff version with tolerance
Former-commit-id: f2ddb1fd9c55aff96b1e9f4145cb93bf255b6318
2018-05-12 06:09:13 +00:00
Marek Nečada 9bf0736dd4 Fixes in less used functions
Former-commit-id: c90e785fd2f7a1672447d4d3136ce7c443dc1b8e
2018-05-11 19:13:02 +00:00
Marek Nečada e55847425a different tests of vswf translations
csphvec_t norm and relative difference functions


Former-commit-id: 39addcec6e5429e82698751427ffca03168569e3
2018-05-11 14:29:58 +00:00
Marek Nečada 9e2ad963f4 Xu's antinormalisation (broken, though)
Former-commit-id: 36ce5c8fdb1e63fe790cb40097f22b38fb2dff00
2018-05-09 08:51:41 +00:00
Marek Nečada 8f6181ced8 [IN PRO6RESS] Xu's antinormalisation
Former-commit-id: 577e58118d7da93b927035b4e6e91c6c4cdab485
2018-05-08 15:39:12 +03:00
Marek Nečada 45edb30a62 Split Xu and None.
Former-commit-id: 3a7198907df8d1cbcb41ad7f0923bc8757183d83
2018-05-07 03:46:55 +00:00
Marek Nečada 0b4044f267 Fix translation coefficient magnitude for unnormalized waves.
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
Marek Nečada 1665474b3d Fix translation coefficient magnitude factor for power norm.
Former-commit-id: 645b9b3517af9d2c2a9ef3e0223307d21f3c89fa
2018-05-06 20:38:33 +00:00
Marek Nečada 1cf9eac0ba Revert accidentally deleted code
Former-commit-id: 0644367bdab1c407898a6e869c21b07f392c9c53
2018-05-06 19:29:20 +00:00
Marek Nečada 5e45afad38 indent
Former-commit-id: a56647c77be3363a71248e7ade21dd52b1d515a8
2018-05-06 19:13:10 +00:00
Marek Nečada f943cc0cdb Found a working set of parameters for the VSWF translation.
Former-commit-id: 3b36597e152bd89e6251e34d549fe1db3ecfd955
2018-05-06 17:34:35 +00:00
Marek Nečada 430e5b2a6b Update the Xu table translation test (TODO the .fodt file)
Former-commit-id: cd4f3cbc1c451a790d2e06691d083e85ceab41fb
2018-05-02 21:17:06 +03:00
Marek Nečada 20595e0781 Xu Table test of translation coeffs: fix erroneous table entry.
Change output format


Former-commit-id: dc3dcc3ce9abd84cfbd7107d2953c64fffd219de
2018-05-02 19:47:35 +03:00
Marek Nečada 34557fe5a4 Move translations table tests
Former-commit-id: bfb7f991c86f2cb2e25cf7444854d9647ed0f31b
2018-05-02 14:02:39 +00:00
Marek Nečada 1277faac91 ray plane wave test - fix missing columns
and it works, so the error is in the translation coeffs...


Former-commit-id: 13ca4eb13352ee7ac899afe359250f54b2783d86
2018-05-02 08:23:26 +00:00
Marek Nečada 0a7da94b4f Fix "zero" ray in plane wave test
Former-commit-id: cd30bf7acb9c68bc325fd60524a3a21df26629bc
2018-05-01 20:13:39 +03:00
Marek Nečada 7eefd445e0 New test code for plane wave decomposition
Former-commit-id: 6fc69078608e26184fafdf3f161ff3f084c56aa3
2018-05-01 19:57:02 +03:00
Marek Nečada e3713d61a3 Ppfac for the "new" B-coefficient
Former-commit-id: aea661c0419d2b619e79044960728a225a7f7132
2018-04-26 11:13:15 +03:00
Marek Nečada bff06d61d2 fix uninitialised value
Former-commit-id: 22535c732f1c6ebb7e97b73e32d88149670a9071
2018-04-25 22:38:04 +03:00
Marek Nečada fbcd9d12ff Small fixes
Former-commit-id: 100df715f56500e605ee77fd86afec8153e3225a
2018-04-25 20:37:34 +03:00
Marek Nečada 99bea1c9b7 More convenient output order
Former-commit-id: f71accc9a5bbbaeb2893ef4acbf8ca3664192169
2018-04-25 20:25:08 +03:00
Marek Nečada 73d76f6e25 fix identifier
Former-commit-id: 465c243162b27608dee36388d48071143f788a9d
2018-04-25 17:20:43 +03:00
Marek Nečada 244d6b7037 fix format strings
Former-commit-id: 04ba94c6f41a94f4b5b90e5dfe5879c3b7533637
2018-04-25 16:25:42 +03:00
Marek Nečada eb47cc2e6c New test approach for the translation coeffs
Former-commit-id: 26c9ee06f12c3f5b48921be530812707d81826c7
2018-04-25 16:08:55 +03:00
Marek Nečada c2ee695633 Fix kahansum init
Former-commit-id: 306596052fa88952fcb182f69d79315fa9c24020
2018-04-02 20:49:27 +03:00
Marek Nečada a9c04937f3 Various uncommitted mods and fixes
Former-commit-id: a9c5e0b73d23eae4b8b5fe5223f21a391d321b1e
2018-03-28 18:28:33 +03:00
Marek Nečada d0890b9d91 dudopráce
Former-commit-id: 4fd98da0231d2df8a1a8d9ceeca0a8a4ecc1ff1e
2018-03-15 02:26:00 +00:00
Marek Nečada e06cdd3171 Dudom. Implementace besselových fcí v chodu.
Former-commit-id: 63827799543f410dfb1a83cab7ca10287d76f7c2
2018-03-14 17:17:52 +02:00
Marek Nečada 5b5e77f985 Kahan sums 3
Former-commit-id: e34f5bbb16a95c4d5517121454a4d5229bcb50c8
2018-03-13 10:57:08 +02:00
Marek Nečada ad2815434a Kahan sums 2
Former-commit-id: 0d8c588c1770d76fd7db37e003e357f0b1bc4988
2018-03-13 10:54:32 +02:00
Marek Nečada cf340560af Kahan sums 1
Former-commit-id: e3a1c66347d2bb05162560b526618eb8c248de04
2018-03-13 10:54:07 +02:00
Marek Nečada 93137b29b3 Replaced (probably wrongly implemented) Xu's B coefficients with Xu/Cruzan B.
Former-commit-id: ea0f90e263c7e41a60bb1aeda0dc5efa2021b3dd
2018-03-08 10:31:11 +00:00
Marek Nečada 2cab9c1307 Dudom
Former-commit-id: ade18052fd1fbc4c02557c8fad65d66ad0272f47
2018-03-08 00:14:15 +02:00
Marek Nečada 4b7797edaf "fix" the q ranges for the B coefficients in translations.c
Former-commit-id: 17084dd0b57cb4271c67d5d95b7e033c3968276f
2018-03-07 21:32:05 +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 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 1a95827149 Test translations. Gives terrible numerical results.
Former-commit-id: d0315028193ba3e951c2f569d21c62035417327a
2018-02-08 10:23:31 +02:00
Marek Nečada 1829dcd58d Xu test more or less working for small n, nu.
N. B. incompatibility with old Taylor-like translation coefficients


Former-commit-id: 506c15d318b673cc38d0e137efbc55b2687dde7c
2018-02-08 06:23:34 +02:00
Marek Nečada d5f47c1844 generalise translations; does not give right values yety
Former-commit-id: 89262c325c2c2b619d1b5b7b7fd70ef3d02b0c41
2018-02-08 05:01:41 +02:00
Marek Nečada e689df15fd fix broken syntax in translations.c
Former-commit-id: 46444199859568e0a34bceadef5a017f6bcb7480
2018-02-07 17:33:08 +02:00
Marek Nečada de45a9e38c reorganisation of the code
Former-commit-id: 2efe6a07fa27aa2a159dfa83959e9580b3f53809
2018-02-07 15:39:41 +02:00
Marek Nečada b51b1dc2b5 Wrong radial part of longitudinal waves -> BUGS file
Former-commit-id: 6144e79efefcb54b43e85b1b3c14ef9d907bb336
2018-02-04 22:23:02 +00:00
Marek Nečada 4dc151d5b9 Correct plane wave decomposition at origin (wrong elsewhere for longitudinal waves
Former-commit-id: 4dc70fde23e31828fb959da429d716bd39e84e47
2018-02-04 15:40:13 +00:00
Marek Nečada dbc118e712 Plane wave decomposition now works for the transversal part (not yet longitudinal)
Former-commit-id: 83dadf35d24a66c7576395f6f156f5e7586551cd
2018-02-04 11:43:42 +00:00
Marek Nečada 6198a992f9 Forgot the test...
Former-commit-id: 88ae72c3ac9e3c0bda5f80d2ea46440687710e72
2018-02-02 14:23:47 +00:00
Marek Nečada f458e94995 Plane wave decomposition compiles but yields wrong results.
Former-commit-id: 0cfe82f1efe0e68d41a2f4bf315dfac4618cf435
2018-02-02 14:23:15 +00:00
Marek Nečada 7988b4e942 Dudom
Former-commit-id: 14be6634a87694d70a8b29a5ddf5ec4399b9c691
2018-02-01 17:04:51 +02:00
Marek Nečada 00f9f5234a Jdu do práce
Former-commit-id: 3be0f5adda5334dae7397d21b6d48835a190632d
2018-02-01 04:40:45 +00:00
Marek Nečada 2a7015b80b Rozbil jsem to, jdu domů.
Former-commit-id: 77490824d9a8f975ec4ebe98d8cfa104093884e4
2018-01-30 01:09:48 +02:00
Marek Nečada 155859d8a7 Fix edge legendre signs again
Former-commit-id: 932787e15c101c131bded3ada1034a379da6123c
2018-01-29 17:34:41 +02:00
Marek Nečada bd5aacd7d9 Legendre, pi, tau calculation fixes
Former-commit-id: 98e265cc0c6d73bd3eff3a601096ce84d63cc7a2
2018-01-29 10:13:13 +00:00
Marek Nečada 92e9622b64 Pi, tau auxillary functions. still bugs in the poles.
Former-commit-id: 99d550f5ffa03d001f89e41a07e70652105bdc36
2018-01-28 09:18:06 +00:00
Marek Nečada 3312bc61e2 Práce na vswf ; jdu domů
Former-commit-id: 112c65dcb0de85908b43cd488c63ac14072dc97e
2018-01-26 15:07:29 +02:00
Marek Nečada 90cc4065d3 Bessel transform mathematica results etc.
Former-commit-id: 3dca9d0ccbfefa4c5f3867ce4ba31229646ca2d9
2018-01-15 15:14:15 +02:00
Marek Nečada 37896ad022 dudom
Former-commit-id: cffd4c06ee69fb27f3aacb25508bf1e0532cadc2
2017-12-21 06:35:39 +02:00
Marek Nečada 0df626a194 Rozdělané Legendrovy polynomy por záporná m (jdu spát)
Former-commit-id: c0a0eba0bdc993de7199e57cc9f8a7c9964667a7
2017-12-18 01:04:12 +00:00
Marek Nečada b1f96695ae Types for vswfs
Former-commit-id: d868e91fa47206edc345780c009c464d11539ddb
2017-12-17 17:07:19 +00:00
Marek Nečada 6ef1adb60f Header cleanup, konvence
Former-commit-id: 8920ff072be831d081599e0237f4e6a39b3ec659
2017-12-17 16:44:45 +00:00
Marek Nečada ef8129d93c vswf computation (start writing)
Former-commit-id: 8886648a52b94a21a17e2fede87941a65597d740
2017-12-17 17:46:37 +02:00
Marek Nečada bb289a46b9 C indexing functions to separate file, new normalizations in progress
Former-commit-id: 30b4ab302fe69fedc8c12bdb7b3b35f532cfc35d
2017-12-17 17:42:18 +02:00
Marek Nečada 55d618143b separate C header file for types
Former-commit-id: 0c9797b04726c1d027a1eca96a5a7db3231403fc
2017-12-17 17:02:58 +02:00
Marek Nečada f6371b7d34 Přehled zdrojáků
Former-commit-id: 5ccde8227fefc212f5cdcabfe0f78ea237a0f83b
2017-12-06 22:32:48 +00:00
Marek Nečada 53e5508642 Mathematica script for calculating the 2D Bessel transforms.
Former-commit-id: 6371433778d3b7ee2f0a286f2f3e2cbddc53c917
2017-09-11 03:05:49 +03:00
Marek Nečada dc633c6d9a nd generalisation of function for reciprocal basis
Former-commit-id: a213a1198a65956eeafe0e3249beafc822131497
2017-08-03 08:11:28 +00:00
Marek Nečada 0b09921bb5 Two conventions for reciprocalBasis
Former-commit-id: 698fca8df5631e704e4a33dd9871b780f542a130
2017-08-03 08:07:50 +00:00
Marek Nečada 22b5cfdd49 dudom
Former-commit-id: 877c2c71178212397cdb72e18f54b9a884fb2951
2017-07-25 17:10:58 +03:00
Marek Nečada 0fe13cecc2 make TMatrix subclass of TMatrixSpec
Former-commit-id: 05ac6d2d707c1bc3815ee4bc58cdb56c3603c10f
2017-07-25 10:29:06 +03:00
Marek Nečada 5ef938ac11 Pseudovectorisation of qpms_p.lpy()
Former-commit-id: f09d71c52ef73453ee1a49f327a5b52548ce978b
2017-07-20 17:30:24 +03:00
Marek Nečada 46c67a548e Pseudovectorised version of qpms_p.vswf_yr()
Former-commit-id: 00f32b599dc087369fa99eb1bf9207d9901897c2
2017-07-20 17:05:32 +03:00
Marek Nečada e0b1b3af55 Pseudovectorisation of plane_pq_y
Former-commit-id: 4af74647f63a2aa4c669244245dfc4b2cf7a3efd
2017-07-20 16:42:29 +03:00
Marek Nečada 2451da7b3e Additional test, exception output
Former-commit-id: f976b87dae8c38dcfdd810b187fd0089a8287667
2017-07-20 15:58:28 +03:00
Marek Nečada 83a2d56d41 Basis transform for lattices
Former-commit-id: 5746d8f6a70c21b0133259c1f936fda96b01cf96
2017-07-20 15:45:52 +03:00
Marek Nečada bb3e0630af introduce TMatrix class
Former-commit-id: 1c6dea1510a91a498f4abc8fa47dd6f95f397da3
2017-07-19 17:01:22 +03:00
Marek Nečada 710efdc533 Define python enums for normalization and Bessel function types.
Former-commit-id: 2dccf7654eec98ce598f82d2d31479dbab459f28
2017-07-19 16:59:33 +03:00
Marek Nečada 681d3817ff Define particle / T-matrix specifications as namedtuples.
Also get rid of separate T-matrix spec sequences.


Former-commit-id: 814df45116c56e638e13d370d5be11330adad722
2017-07-18 16:07:31 +03:00
Marek Nečada cff4a2cbf1 tmatrices.py: get TMatrix by CL argument specification
Former-commit-id: e28bd7f80f64a810a1f2a22534e3fc1a40341dc9
2017-07-12 14:18:37 +03:00
Marek Nečada 3b6304b348 Move t-matrix op related stuff qpms_p.py->tmatrices.py
Former-commit-id: 4179c6e8fa960ade08ccac85e035bdc6a9bd16c0
2017-07-12 07:21:49 +03:00
Marek Nečada cc4815b861 Fix module path
Former-commit-id: 6b8d455aae082bde323031b7eb57268701f18c77
2017-07-11 23:45:11 +00:00
Marek Nečada d2b3851da5 lattices2d.py ready for (basic) use
Former-commit-id: f1fbc9a7e44be5a3b3c5c69a6aae35562741c440
2017-07-12 02:09:52 +03:00
Marek Nečada f925f2163d Progress on lattices2d.py; dudom
Former-commit-id: 0b9f718ce5cfff12f1d044dbf995f51092daf76b
2017-07-11 16:17:33 +03:00
Marek Nečada 97648ce214 Description of the modules, todos, remove unused imports.
Former-commit-id: 8fa256520b1fb3fbb69bc65040b0e541b8c38b97
2017-07-11 11:57:03 +03:00
Marek Nečada 4dbb8f09b0 Working on scripts_common
Former-commit-id: 830060579114debef9874748618e0dcf3f14882c
2017-07-11 10:48:52 +03:00
Marek Nečada e2f9923f31 Jdu do práce
Former-commit-id: 78742e79ad31d8aa44ac410401c6b5d6a394a188
2017-07-11 06:17:59 +00:00
Marek Nečada 37122d0b28 Improve range2D + some application argument TODOs
Former-commit-id: 40d8895058b25b9de8a4b4a47e9a115deaa495e1
2017-06-27 15:51:08 +03:00
Marek Nečada ccde3d76df Wigner-Seitz cell (untested)
Former-commit-id: fb16e8e607bcf6de8b4049147df649bcfdecd855
2017-06-27 14:50:18 +03:00
Marek Nečada 3eaa1e49fa Bravais lattice type recognition
Former-commit-id: b33c30f31ff08780a60ceb1fdcf011ee6e064e59
2017-06-27 00:22:18 +03:00
Marek Nečada fa1802a7bd Some data sanity checks
Former-commit-id: 7a7b0433aae0f754098e4d5a014b8c1311377317
2017-05-18 16:06:47 +03:00
Marek Nečada 43702a00c8 Cosmetics
Former-commit-id: f7a02a39ae67af4fb835892be4ff8356f3e91c9d
2017-05-17 13:34:54 +03:00
Marek Nečada c16e0df2f2 Check lMax > 0; more robust coordinate handling in lattices.py
Former-commit-id: 9e5ac45158d5c7241427a6148db2d1842dd74cc6
2017-05-17 11:32:17 +03:00
Marek Nečada 8135121a3e lattices.py: freeing memory; Cosmetic changes
Former-commit-id: 2d7e68b0f11d89406807d23e5b18c64900cbf01c
2017-05-16 15:01:20 +03:00
Marek Nečada 1fa2e70d93 Fix vectorized implementation of ...getSVD
Former-commit-id: 09bdc607b096859d9679d39d5e08ea71669d3673
2017-05-11 06:31:43 +03:00
Marek Nečada 12bbb53155 fix of fix
Former-commit-id: ac535492f048c29382633fbdbe6ee9c3f62a6b73
2017-05-11 04:51:01 +03:00
Marek Nečada c80551974b small fix
Former-commit-id: 6c87c578e9a443dfd054d44e003402e27067d34e
2017-05-11 04:48:02 +03:00
Marek Nečada 4b614d8e0b Vectorization of python ...getSVD version
Former-commit-id: 47b491c768dd30c86055cbb36ab0f7748a8a5202
2017-05-11 04:38:46 +03:00
Marek Nečada a662c885d5 Fix verbose messages
Former-commit-id: 4c8d6e95e55854925fe3b7c4fd35e9875d7a49ac
2017-05-10 15:40:43 +03:00
Marek Nečada 7a4887101a Fix missing index arrays
Former-commit-id: 17499c3583715bf5365771c60c66ba58f175a67a
2017-05-10 13:44:36 +03:00
Marek Nečada d2653e6a6d New symz_indexarray function, fix hexlatice_zsym_getSVD
Former-commit-id: 2d42d93b8c7d2e7596127293c622197794fe7f20
2017-05-10 11:45:21 +03:00
Marek Nečada 3a1f7c95aa Move time tracking functions to separate file.
Former-commit-id: ccecc95fd70f36208fa01b3b4d2c7bdd1546ff92
2017-05-10 11:43:11 +03:00
Marek Nečada 535fb3c3d7 Some cython code cleanup
Former-commit-id: 187ae611bcd6112caf7b0a0b37223f0bc1836392
2017-05-08 22:17:19 +03:00
Marek Nečada 92b33d7993 Opravy
Former-commit-id: 9f8e7ed97e3701ca1b6dc3cbe36dc35ce45fff4a
2017-05-08 22:04:27 +03:00
Marek Nečada c1db33fcf6 hex lattice mode svd to separate function
Former-commit-id: dddd45e135bce176863e70a2256b9906575b9aa8
2017-05-08 21:38:18 +03:00
Marek Nečada f41caf6203 Fix of the previous
Former-commit-id: 74a68bb17f61a875c9f8c852820ac1252a5095cc
2017-05-08 20:20:57 +03:00
Marek Nečada d269624b68 Start legacy code cleanup
Former-commit-id: 6dd209d837466d33e1749114da672a2a08e09f0c
2017-05-08 20:13:34 +03:00
Marek Nečada 02e34d525b Function for directly getting hexlattice a,b coeffs without saving.
Former-commit-id: 0dc9768a7754d407dc733df57eff549ed4ccc53f
2017-05-04 04:18:38 +03:00
Marek Nečada 205c1316f3 Fix python header include etc
Former-commit-id: f14e9673df8781be76d86df81394aacee7f557db
2017-05-03 08:43:29 +03:00
Marek Nečada 0643ff4b3e Faster versions of hexpoint calculations (work in progress)
Former-commit-id: 44a7ed6419a966e2d71c258953d1d01dc0ed87ab
2017-05-03 08:23:27 +03:00
Marek Nečada 2149a9ca71 Axes bugfix
Former-commit-id: 8c58c30104d142779e698646a46ca950520307c0
2017-05-03 08:08:58 +03:00
Marek Nečada b6b701bd42 fix the C version
Former-commit-id: 470dfcd9336bed06916463770a8a144d67e0fd95
2017-05-03 06:02:01 +03:00
Marek Nečada 019304dcb4 Rewrite to C (still crashes)
Former-commit-id: 06dd608b73678c9974d144b6467c94c5d0a9f45b
2017-05-03 05:45:14 +03:00
Marek Nečada c599ee839e Few modifications, did not help...
Former-commit-id: 47121008c9846d8539d85b367763d950e037a1c9
2017-05-03 05:19:33 +03:00
Marek Nečada 40809ce90a The array version of the AB coeff calculation still has bugs.
rewriting to C


Former-commit-id: c6582a03a8b73b46156416eb0faa3f866e2638ce
2017-05-03 02:22:14 +03:00
Marek Nečada 2d88a1ef0d Whole translation matrix: it compiles; untested
Former-commit-id: 1465a1385a2f318148d7b3a21cbbf2c0391a13df
2017-05-02 00:18:01 +03:00
Marek Nečada e2a2100b57 lattices.py using now the c module
Former-commit-id: 52cecb23a8757726bcac796417ebade8242d687a
2017-04-27 13:12:52 +03:00
Marek Nečada 796c7d7289 qpms.trans_calculator.get_AB working
(translations.c needs cleanup, remove duplicate code)


Former-commit-id: e99463b00456030384bf85fd3f782f47d2a44f5b
2017-04-26 14:44:16 +03:00
Marek Nečada c41c0d80ff The calculator module now works in python
Former-commit-id: 928dc98f6960bd53317a861c2787e197dcb87c88
2017-04-26 14:12:29 +03:00
Marek Nečada 816771be8d Computing translation coefficients with precalculated multipliers now
working


Former-commit-id: 7a7b8fd403f1624661a198119080937193f4a8c7
2017-04-25 22:14:41 +03:00
Marek Nečada c44a69c182 Continue writing translation coeff calculator object, etc.
- 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
Marek Nečada 3509d4d6ac Bug fixes
Former-commit-id: b3b375cec2e2bb0379ab20b36e3c2fef7473f409
2017-04-20 10:31:02 +03:00
Marek Nečada da193c1450 something already works
Former-commit-id: 9b1cfe39ae1453d26db40ad36d649b820d091ee4
2017-04-19 17:43:24 +03:00
Marek Nečada 261b6686bd Fix qmax
Former-commit-id: 64b1e7690c2761168b05c3b87f978e4c9f478deb
2017-04-13 12:43:25 +03:00
Marek Nečada 22dd5ef874 C implementation of the B translation coefficient.
Former-commit-id: f7c8930de88c1d62ac99e29e9adda4ca78aa216e
2017-04-13 11:29:38 +03:00
Marek Nečada 5cf2c97e6b Fix some problems with nans (invalid arguments of Legendre polynomials), still having some problems with gaunt
Former-commit-id: e551b05175ee14cd39e489589262dd82a83923fa
2017-04-12 16:12:12 +03:00
Marek Nečada 34940fc7e9 Koefficient A a testy. Kompiluje, většinou funguje, někdy nan
Former-commit-id: 3303493088dc8edca027fb93d49d62166e71544e
2017-04-12 14:27:22 +03:00
Marek Nečada b8eff3eb77 Dudom
Former-commit-id: cf2eb302d096612df04c204ca0dcee71a0776672
2017-04-10 13:48:06 +03:00
Marek Nečada 90a9971eb0 Hlavička pro gaunt
Former-commit-id: 4405fe435235134338c2c0a53f754490725d501e
2017-04-10 04:03:10 +00:00
Marek Nečada e7b7003abd Now gaunt.c seems 100% compatible with original gevero's code.
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
Marek Nečada d5bca9f10d gaunt.c se zkompiluje
Former-commit-id: cf9a8e0aef20947f0b9e66c5e7b40f822cfa2a93
2017-03-28 15:52:49 +03:00
Marek Nečada 70dcb594c2 pokračování
Former-commit-id: a91bbb883f6e9fdee34ac9568ec92070c4c095b7
2017-03-21 06:18:17 +00:00
Marek Nečada ae4065d30d Přepis na „nového“ geverova gaunta
Former-commit-id: 011e4c2c3a56e464dfa91f135c88dfe9048d3977
2017-03-20 04:56:23 +02:00
Marek Nečada ad74b553df legacy gaunt (gaunt_xu2 from py_gmm/vec_trans.f90) rewrite completed
Former-commit-id: fd0fdda1084b93dafde6e60f1fe6108a7e4baa1c
2017-03-20 01:58:53 +02:00
Marek Nečada a14ed7d972 pokračování přepisu gaunta
Former-commit-id: 1aa8892516c6f464314cfff68348c4bbb7a2947d
2017-03-19 13:05:33 +00:00
Marek Nečada e98a4656ca gaunt pokračování přepisu
Former-commit-id: aed3bfd9a4652e79e1619c22b873c82ea3ed17ea
2017-03-17 19:58:50 +02:00
Marek Nečada d93346070d rozepsány vektorové verse přesuvných okeffiientů
Former-commit-id: 271b875ff3b42a304563cbc8e69ab3ffbdec5b73
2017-03-17 05:19:57 +00:00
Marek Nečada ab4466ccdd initialize T-matrix to zeros when reading from file
Former-commit-id: a0ce0680a296a019cc254361261a3fceddeec668
2017-02-26 04:50:15 +02:00
Marek Nečada 042197f978 [hexpoint] some fixes
Former-commit-id: 2741873a8507d756e95752e41bb1793e9a261219
2017-02-09 07:08:20 +02:00
Marek Nečada 90c3efe8b0 Loading and unwrapping precalculated translation coefficients.
Former-commit-id: e15d3e655e613806676940de4516b65c54d3d80b
2017-02-08 12:16:10 +02:00
Marek Nečada c3e8dc23f1 Function to precalculate and save hex lattice translation coefficients.
Former-commit-id: e43dfa30224a4a7d79ee92b0c5ff1856d4f53da9
2017-02-06 09:39:43 +02:00
Marek Nečada d76a036c33 Final fix of hexpoints + some ipynb demo.
Former-commit-id: cf3c5256aef489e0ac813182593a23bce2d6c3d8
2017-02-05 22:38:58 +02:00
Marek Nečada af4eb887c4 hex/triangle lattice generator internal constants
Former-commit-id: 7c581b5e832ee91f0b1bde804233a635f4090975
2017-02-05 18:46:36 +02:00
Marek Nečada df90b7b440 Fixes of hex/triangle lattice generators
Former-commit-id: 85ed2f3c0447a8ddf9551d90df4d97cf87c3f76c
2017-02-05 18:39:32 +02:00
Marek Nečada e2e7512b9e Functions for generating hexagonal/triangular lattices
Former-commit-id: 5139893ade0c5bfa46c712af3913218158038e37
2017-02-05 17:20:21 +02:00
Marek Nečada 5b0bd8d099 small fixes
Former-commit-id: 90d007ae19ad42222c406564adc80b5394703b83
2017-01-11 11:27:50 +02:00
Marek Nečada fda639304a starting rewriting the gaunt coefficients from py_gmm to c
Former-commit-id: e7cb74b982fe05ef9b0555e3524ac38398e2f13f
2017-01-09 23:08:49 +02:00
Marek Nečada 1f995be463 Fixes
Former-commit-id: 332fdd586e784b734f245b0d149cc63d6a2a4d68
2016-12-22 09:14:58 +02:00
Marek Nečada 9e390e0d30 z sym lattices?
Former-commit-id: 3f2148ed9eaac6b4b79a97c5bafee164aeb19df4
2016-12-22 08:38:39 +02:00
Marek Nečada 478c93276f Obecný scatter, zahájena třída s mřížkou
Former-commit-id: a6479f00e8639a7656913da298844b176ba5d45a
2016-12-21 21:54:53 +02:00
Marek Nečada b642991bb1 lattices: Basic stuff fixed, measuring time
Former-commit-id: 7019be9053b601e266eeddafdd859f6339313df7
2016-12-21 14:28:55 +02:00
Marek Nečada c18e1209f4 dudom
Former-commit-id: 77250aa7b2ea2931e3cf1e3f401919cd19ba829d
2016-12-15 16:15:01 +02:00
Marek Nečada 82259b77f5 Fix constant TMatrix bug in constmultipole rectarray
Former-commit-id: b767b7178b2c0c7ed8c438f17470d86fda48bea4
2016-12-15 08:02:47 +02:00
Marek Nečada e6d7663660 Little progress in objective approach to the general scattering problem.
Former-commit-id: b5775d0d4deab4c41986b28762364932d1815299
2016-12-14 21:09:47 +02:00
Marek Nečada 8d2ec16167 begin draft of objective approach to the MS problem
Former-commit-id: 857d55fb5a29373dec0d12ba435ac92c7f05ccef
2016-12-13 12:22:18 +02:00
Marek Nečada c9631d217f Fixed decorators (not elegant but working)
Former-commit-id: 8f54570f4413fdbc7544a2b4fe3ea183290026e7
2016-12-06 18:20:23 +02:00
Marek Nečada 2b64a50244 [broken] Jit všude možně (rozbil jsem to)
Former-commit-id: c88f554cee3aed543c657a27982139b3ae1ad0ce
2016-12-06 17:25:32 +02:00
Marek Nečada 26cabb1e87 Set __version__ attribute from the setup.py file
Former-commit-id: a25cf505f32bbd5d223d3e9b73078f994bab2f0d
2016-12-05 00:00:32 +02:00
Marek Nečada 47daced370 Non-mandatory numba import and conditional @jit decorator.
Former-commit-id: 327ece069ac0aa7ccc3c2aedefc4255a935699e7
2016-12-04 22:27:03 +02:00
Marek Nečada febd164740 Fix last commit
Former-commit-id: 0fa8ce938f13fbae048cfc8a04a09781ff7631b8
2016-09-19 03:46:13 +03:00
Marek Nečada 72b0c96d49 Constant excitation coefficient problem
Former-commit-id: a20f0ea21796c5aa11a3084927a08e885085b610
2016-09-19 01:32:44 +03:00
Marek Nečada bd0e7e7257 ND matrix tensor multiplication
Former-commit-id: b24a08cb61ccac2464bfe9d904fa973cab7596b1
2016-08-09 15:40:36 +03:00
Marek Nečada 8fb938961f Correct flips for magnetic part. Some tests.
Former-commit-id: 998f4b8fa5b94447ae75220fbb43c0143d4083a5
2016-08-09 14:39:45 +03:00
Marek Nečada 4badc3f6cf Output also lMax into the progress info
Former-commit-id: 6ecb0132a5ef908b2c64ec4e1fbe1572136a169a
2016-07-26 08:04:24 +03:00
Marek Nečada 7ae729b1b1 Print lattice size to stderr along with the progress info, doc nmax
limit


Former-commit-id: 646f95f462565702ff15ca66df0294a0568a60f8
2016-07-26 07:42:13 +03:00
Marek Nečada 3171c07c3e Very incomplete documentation for the translation coefficients.
Former-commit-id: 7c707f71ac39364be7cb628c074cfb777ea61a92
2016-07-26 06:35:27 +03:00
Marek Nečada 8646b18492 Forgotten stderr flush.
Former-commit-id: 27e83e9aa9db4bbed4273b3dc5adffa910bcf066
2016-07-26 05:59:31 +03:00
Marek Nečada 30013ac7fa Plane wave test, docs.
Former-commit-id: 86bdabea5c1a424401d3b93ea98af16bd2e963be
2016-07-26 00:42:16 +03:00
Marek Nečada 28a805b638 Flush the stderr output immediately.
Former-commit-id: 240c09daf17f4707564e853164342940d372982e
2016-07-20 16:24:48 +03:00
Marek Nečada 1ceaad21bb Z-mirror and parity operators
Former-commit-id: 08df6f997b2c0925adb9956e8d36ef904c2243a7
2016-07-19 20:26:43 +03:00
Marek Nečada 6b2ce9d6eb fix format string
Former-commit-id: ca3b71eaf29d1205df47ee95bfccf4a8e34ac1a4
2016-07-18 16:33:31 +03:00
Marek Nečada ef7b2dc66c fix time watch
Former-commit-id: e5f873d940f487d69a097149578fe0f6a1f24159
2016-07-18 16:10:50 +03:00
Marek Nečada bf5d6e23a4 Print elapsed time option
Former-commit-id: 7bd324a79bf5df4f5bc5e0b4754afcc019b870a9
2016-07-18 15:58:55 +03:00
Marek Nečada b945a50740 fix missing import scipy
Former-commit-id: d86570647ac3ca07f144768571b18d15714e9769
2016-07-18 13:03:33 +03:00
Marek Nečada ab6c9fc267 Fix variable names in scatter_plane_wave_rectarray
Former-commit-id: 1766eab4d6fd6bd98ecba6a188a25c89a58e5561
2016-07-18 11:46:48 +03:00
Marek Nečada 550901a18a Add possibility to return also the exciting plane wave coefficients
Former-commit-id: cef1d05c8bc2e7822a6ee58119877ef43b958bd0
2016-07-18 11:11:13 +03:00
Marek Nečada 9c0e2b2f28 Scattering on finite rectangular lattice
Former-commit-id: cb5a9d855e8f1cd22390cf589669fc3621bf8936
2016-07-14 21:13:58 +03:00
Marek Nečada 232fd3146e Function for reading scuff-matrix output files
Former-commit-id: 08c8f4bfc3786d6cd6e011bbce324ab661971736
2016-07-12 03:40:57 +03:00
Marek Nečada 40162ffb01 Merge branch 'master' of ssh://necada.org/~/repo/qpms
Conflicts:
	setup.py

Former-commit-id: 7637555c4b919fd18c2c23b1d4768e51c039067d
2016-07-12 03:24:15 +03:00
Marek Nečada 67707f7572 Spherical harmonics transformations
Former-commit-id: bbbae4cbdd9756dfffb2ab2c81c208ef580ca463
2016-07-12 03:20:53 +03:00
Marek Nečada 3018a3999f Minor fixes
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2016-07-06 12:00:39 +03:00
Marek Nečada 5bfd515d4e ?
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2016-06-29 21:47:20 +03:00
Marek Nečada b927ddb791 pi, tau zerolim jednoduché výrazy v Taylorově normalisaci
Former-commit-id: db59f269beb52d1c25f8a5a923cb42c14791bfb5
2016-06-29 14:48:09 +03:00
Marek Nečada 338a671d16 TODO cross section
Former-commit-id: 1075e9c6f8c658d962faffc11e80c16a52898a48
2016-06-28 16:13:28 +03:00
Marek Nečada 1fdab37c59 Vykuchán ipynotebook
Former-commit-id: c01b3a29ed6dd51fd2bf1b6bcf5f8c8a3f5d5f99
2016-03-27 13:17:18 +03:00
Marek Nečada 256e03768e Balíčkování
Former-commit-id: 918a6ff89b7388354057a12aab68d6223db6c794
2016-03-27 12:56:54 +03:00