Marek Nečada
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be7da65b5a
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Wrap function ewald3_sigma_long
Former-commit-id: b36f1095d792b9bfd54d28fa9d0da5de0da0ba3f
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2018-11-24 23:10:32 +00:00 |
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Marek Nečada
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0c55595d08
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Implement LR part of 1D in 3D Ewald sum along z-axis; compiles, untested
Former-commit-id: 2a9b972dc012401c08758ee768667dfd3a3882c4
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2018-11-24 12:51:57 +00:00 |
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Marek Nečada
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ccc409ba34
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Fix k power in 2D LR part Ewald; alternative expressions for 1D LR part Ewald.
Former-commit-id: 79d9a7a77797d810b6a028604f02f4f27139acf9
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2018-11-24 11:10:03 +00:00 |
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Marek Nečada
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b90bf2875b
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Práce na 1D ewaldovi; du dom.
Former-commit-id: dbecec91884dd005a2001c71d4bbe50de74fc8d0
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2018-11-22 16:49:37 +02:00 |
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Marek Nečada
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577a4a5a28
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Duspát
Former-commit-id: 03503b9541198b86495636cef73271f5cce1d759
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2018-11-22 00:02:31 +00:00 |
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Marek Nečada
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de316bdfb1
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Forgotten header file commit.
Former-commit-id: 68c61076080110267e3ee7cd5cfaab68313ccf3f
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2018-11-21 19:42:17 +00:00 |
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Marek Nečada
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c7c9dc52b0
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General 3D Ewald short-range part now compiles.
Unchecked, untested.
Former-commit-id: 40c10a0eef6575cd29e95be5a0908e28c24ded1d
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2018-11-21 19:41:20 +00:00 |
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Marek Nečada
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11f380170a
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Half-implemented the general short-range part of ewald sum in 3D,
unchecked, untested, dudom.
Former-commit-id: b3551114b8c7136e378feb6dc78cb575a5bfc162
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2018-11-21 19:49:07 +02:00 |
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Marek Nečada
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4d38f64b61
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Formulation of the "simple" 1D problem
Former-commit-id: b93a0a851fe2b11e8c226a96cdfc984e14be2ff6
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2018-11-20 09:59:01 +00:00 |
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Marek Nečada
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c00855a1e6
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dudom
Former-commit-id: 9584e40968c45c3acc25e90b51d28a1bb28b8f0c
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2018-11-14 18:36:15 +02:00 |
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Marek Nečada
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c3a89b24ad
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Abstract lattice point generators
Former-commit-id: 7c2d5d2a94f2888150ea2bad79d4e287a3323061
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2018-11-14 15:15:17 +02:00 |
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Marek Nečada
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f4d4f6f405
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ewald.tex (LyX export) should not be in the repo
Former-commit-id: d3083a66827f1d42d9ec94c34cd42d5ccf9b3f90
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2018-11-14 10:43:37 +02:00 |
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Marek Nečada
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cffe339c5d
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Working on 1D ewald sums
Former-commit-id: 957a1638d81f80032ee86bfd374004743f230767
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2018-11-14 06:37:59 +00:00 |
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Marek Nečada
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42ae511de6
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ewald notes references
Former-commit-id: 1298e2f4f57d6393a3cdd973d9efa8921dc39182
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2018-11-13 09:03:48 +00:00 |
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Marek Nečada
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3bbdee9726
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Some 1D lattice sums
Former-commit-id: 0be7e862f22ebb37523d263ad98856c1dfcc1bff
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2018-11-11 07:06:35 +00:00 |
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Marek Nečada
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2a5dcd3230
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Start implementing the nice functions from lattices.h
Former-commit-id: 4f00c873044ef941e09ccfb5739b35e2a81f01f6
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2018-10-11 10:33:53 +03:00 |
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Marek Nečada
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408685c606
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Enable processing one-line (single K) Wfiles; plots for hexlaser
supplementary
Former-commit-id: 0f4027ecc7bcb7780c04fdd13bd7144eb7a1d3e9
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2018-10-09 10:13:38 +03:00 |
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Marek Nečada
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156c54f4b3
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New fig crosscut image
Former-commit-id: 0154de34b285cd15b7d720edfb7d7ed3a8e7b7c5
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2018-10-05 19:02:06 +03:00 |
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Marek Nečada
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de32e6f920
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Hexlaser theory additions
Former-commit-id: 725f0dd36fef3c76f23d28367f6cb7de12264d6b
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2018-10-04 01:46:02 +03:00 |
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Marek Nečada
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77b4a5053a
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Fix projections problems in ipynotebuuks
Former-commit-id: f5e8fe3da867ec37ee81d7e87ff086c888830f33
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2018-10-03 20:26:47 +03:00 |
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Marek Nečada
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c3e234b892
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Add yflip possibility to symmetries.py, piecewise loading of Wdata
Former-commit-id: 2b35cdc1fcf45a56fe5bd5214d4a6e9dc40f3d73
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2018-10-03 09:25:05 +03:00 |
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Marek Nečada
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8507b09332
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Fix fatal typo in translations.c
Former-commit-id: 54d8ff3b8cd8f443584bd567e8ba068539e5656f
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2018-10-01 17:03:56 +03:00 |
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Marek Nečada
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533c3f70bb
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Some ndmatrix functions
Former-commit-id: 7f0fddbb5cbc2c6c53a04f9416467214953bb613
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2018-09-30 20:50:23 +03:00 |
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Marek Nečada
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cdb3264a48
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Fix names of D3h irreps
Former-commit-id: 8ba62e17ce473b8d5333f5f2fc762b369fe12b6f
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2018-09-26 01:17:01 +00:00 |
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Marek Nečada
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6a07f6a212
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More or less finished T-matrix description for hexlaser peper
Former-commit-id: c8e05c42d157909658061fbf6afce23d33be88ac
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2018-09-25 14:01:46 +03:00 |
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Marek Nečada
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33a603db38
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hexlaser tmatrix text; continuing
Former-commit-id: e349f5b4e7056ef76f6ea2379632718c99ba97e0
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2018-09-25 11:16:00 +03:00 |
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Marek Nečada
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19dce993de
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hexlaser tmatrixtest continue
Former-commit-id: 772c718caa1e9fbae56b1eb9bb34eb2d710fcefc
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2018-09-25 09:09:43 +03:00 |
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Marek Nečada
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e9a2fe69ff
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hexlaser tmatrixtest begin
Former-commit-id: 447f43d9535318021948783cf086ceb1847b7469
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2018-09-25 08:32:31 +03:00 |
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Marek Nečada
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798c69de44
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dudom
Former-commit-id: 4dddd839f153a1a9602b4f4b6c2c85035f6d9d0b
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2018-09-24 00:21:15 +03:00 |
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Marek Nečada
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95eaea1b4b
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Function argument name fix
Former-commit-id: fc94fe122c9c8e9eb3f0a0b125db79a0a238fee7
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2018-09-22 23:05:37 +03:00 |
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Marek Nečada
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ea2ec950c9
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Fix disastrous eta in hexlattice_ewald
Former-commit-id: bfe6f55c6abc193c8c1e9280524d25004fb75217
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2018-09-22 22:47:14 +03:00 |
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Marek Nečada
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a54bd6603d
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Testing Ewald self-interaction at K
Former-commit-id: d71bb8039c3c612d2795ab06f8eaad3932ffa05f
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2018-09-22 21:42:04 +03:00 |
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Marek Nečada
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3236c1e4b7
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Irrep generating function to a module (end of ipynb copy-pasting)
Former-commit-id: b98580074f2d00ff5ae2356e08b9ab189cd567ed
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2018-09-22 04:29:30 +03:00 |
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Marek Nečada
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dba2b9d104
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Fix hexlattice ewald kin option
Former-commit-id: 306c547053b53c594029142095ff3649380e7ab0
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2018-09-19 22:02:20 +03:00 |
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Marek Nečada
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e5412da897
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Fix W data processing
Former-commit-id: e2884d0702f8fc5bd5e6d8c238cb60d13386a515
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2018-09-19 20:48:28 +03:00 |
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Marek Nečada
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726e5615af
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Wdata python processing and loading
Former-commit-id: 7c93e51efc4df0410e34c1a1770192581bf17190
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2018-09-19 19:23:10 +03:00 |
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Marek Nečada
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2b384a48bf
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Fix output formatting
Former-commit-id: 46d0fc02ccb211377982508a6618af9cc0882882
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2018-09-19 18:41:35 +03:00 |
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Marek Nečada
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f45b11928e
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Hexlattice ewald macro option to read k vectors from stdin
Former-commit-id: d0d48d789344b52a272540283bc142f4186aae1b
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2018-09-19 12:41:23 +03:00 |
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Marek Nečada
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12c92a6423
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Fix singular term
Former-commit-id: 33a368c7126d4a8dfa5bdebaae3e70badfd6c2f5
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2018-09-19 10:23:18 +03:00 |
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Marek Nečada
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fa1cee6c17
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Alternative omega input
Former-commit-id: 989c292b09077cec1acd590e5b4ca914352925d2
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2018-09-19 09:44:41 +03:00 |
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Marek Nečada
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1cbaf2d993
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Deanonymise struct types
Former-commit-id: 1df0bbb2bb903cf28e5e5f4a890bda4f9e351182
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2018-09-19 09:17:04 +03:00 |
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Marek Nečada
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1f7ac7c1c1
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New hexlattice_ewald.c with real ewald sum
Former-commit-id: cb398312fcb1d78f39cc374e3171e216d7604f90
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2018-09-19 09:16:38 +03:00 |
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Marek Nečada
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5426d5064c
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yet some "real" tests
Former-commit-id: f09d2f26f3f36cf2838deaadccd69cce7e8f1906
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2018-09-19 07:17:04 +03:00 |
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Marek Nečada
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6a58a89628
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Fix function identifier in header
Former-commit-id: 5b0aea4345302a9dab3acae58c67962553d95251
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2018-09-19 03:17:45 +00:00 |
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Marek Nečada
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803f1525b4
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Ewald A, B coefficient calculator (for arrays).
Former-commit-id: ae5fffb48a91a70dfd89c8caa82914801250dcd3
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2018-09-19 03:12:35 +00:00 |
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Marek Nečada
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f660107925
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Ewald summation – stupid implementation of alternative lattice sums
Former-commit-id: de2830e9e5b65fd679fcf5fd1e8ec3e13dba116a
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2018-09-18 10:37:07 +00:00 |
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Marek Nečada
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68c1bf711a
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ewald.c: type qualifiers
Former-commit-id: d1436642545f21bf3bf4a74f4365ece45b3a5c7d
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2018-09-15 18:32:49 +00:00 |
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Marek Nečada
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169c091806
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Shifted lattices now consistent, TODO check overall shift sign and fix LR declarations
Former-commit-id: ff8a3a0b93447566a605bc7fe6ddbfe34dec3cd2
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2018-09-14 21:10:10 +00:00 |
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Marek Nečada
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182dfa84ca
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Ewald sum of shifted lattice test (not working, apparentlyg)
Former-commit-id: f7966c2fb9df37bb45c77b6107518930bb631943
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2018-09-14 18:15:01 +03:00 |
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Marek Nečada
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85fb772c40
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Testing shifted point ewald sums
Former-commit-id: 0951b2895e4b642aa9ae0365df0b1795fc7ed0b3
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2018-09-13 06:07:26 +03:00 |