5b1c1a2b27
testy kvadratur - řídící makra
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Former-commit-id: f45885c614269b701c3ef4939fd00af6e3088400
2018-08-19 10:55:48 +00:00
572a5bb4bd
New random input data for integral tests
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Former-commit-id: eb1c229e56956ec17f9bb23f1d8f49674d267656
2018-08-19 06:55:54 +00:00
2b0a16f56c
Mathematica integration test
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Former-commit-id: 810941fd93cdf9d26668f74f9e2e5941e5102201
2018-08-19 09:41:24 +03:00
3b89f6fbfc
Integrals test input values
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Former-commit-id: b11aa3dcc87bbccf77f3e4449c6d0ad6045f9bb4
2018-08-19 06:37:02 +00:00
dd95de97f2
Test direct quadrature of the sigma2 integral in Ewald sums. C
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Former-commit-id: 50b7bf83971c9693b59256e6f02b99acb2e84581
2018-08-18 08:50:04 +00:00
8ca7671092
Notes: how does the l-cutoff affect absorption?
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Former-commit-id: 059c1f8a7aa29f19e2febe54d360ab045782603b
2018-08-12 20:54:14 +00:00
9e30722756
Permutation group homomorphism – sympy/numpy versio
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Former-commit-id: 9fbc18dc9d2e4f22a5450e8e2aca799da45f5698
2018-08-08 22:55:07 +03:00
6314a21eb0
Note smash stacking bug
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Former-commit-id: 6b73fbac57463b6f391fb73dfd243692b2434690
2018-05-18 07:12:15 +03:00
fb78c7fa48
Check argc
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Former-commit-id: 11ffbe17d94708b8755f3a228040e723c987b248
2018-05-17 23:12:52 +00:00
c4a6841973
Fix filename
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Former-commit-id: cbea92bd158077948efb2a8ec933e01fd4132822
2018-05-18 01:59:13 +03:00
f42cdb8f6b
Calculating W with "smarter" I/Owq
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Former-commit-id: 4155eaf7aab80dc121976555f8595f7c1549af84
2018-05-17 22:22:11 +00:00
7c55453287
fix k loading in loadWfile
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Former-commit-id: 93cc473f2bfd4229a5290ede85b3cd4b78b50694
2018-05-17 20:15:08 +03:00
6049c8425f
Loading Ws files
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Former-commit-id: 6d72c394d5b5817efc8ecbdcb5add071111bbf2d
2018-05-17 13:00:44 +03:00
294ed51075
Preciser name
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Former-commit-id: e0df33a7873d52adb6e2a73c3c94f1d94a699371
2018-05-17 06:04:03 +03:00
a7e74d7bf4
Minor tweak
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Former-commit-id: 3e8bcfa06b17bd6defa0a60f0f394d9ef4cf14a8
2018-05-17 06:02:05 +03:00
d00ffb2de2
Loading W lattice sums in python
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Former-commit-id: 041c0d9b2c2be5f9392b09a1a22ef0300a1555cc
2018-05-17 06:00:01 +03:00
cbab332c34
loading tmatrices from the new scuff-tmatrix versions
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Former-commit-id: fe8b6c63e859ea18cf3415deee38258aa7bde50c
2018-05-16 21:04:15 +03:00
12f9191a09
Test the translation operator array function
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Former-commit-id: b2ccef5adc99d27e24e730b817ce40ae0c98d4c2
2018-05-16 13:01:14 +03:00
f1bb8a7c35
BUGS: noticed probable float overflow
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Former-commit-id: ffdedd9fe3935b65f51a88b26c220abf2dd8766c
2018-05-16 12:12:51 +03:00
961baedc61
Test array version of translation functions -- incomplete.
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Former-commit-id: 191be54debe2306df7133ac4f48202e94e87cfa2
2018-05-16 05:05:20 +00:00
1cc1793f57
Fix memory corruption, python package installability
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Former-commit-id: d9d89ff20b67132e8d88d55b206a8856a395f1f2
2018-05-15 14:37:05 +03:00
65e8271feb
hexlattice_ewald: už to něco robí
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Former-commit-id: c55716f7ac150413bd0c5891eba4995ea521fffe
2018-05-15 11:03:33 +03:00
81803d16a4
Hexlattice ewald summation compiles
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Former-commit-id: 4bdbd08da64527e77926f66656ef1b0b81546cdb
2018-05-15 01:47:07 +00:00
2b00af241e
More 2d vectors features
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Former-commit-id: d260aeb125cbefaefcadd375c148ce06e8ba96be
2018-05-14 23:15:29 +00:00
8123af47b3
Triangular lattice generation
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Former-commit-id: b747cba4af2cd1fefe5420a551d3524cc184adca
2018-05-14 20:05:31 +00:00
5365ae97d5
hexlattice ewald: lattice generation
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Former-commit-id: 1b7494125603332d5bb2ffb3e607095452661c50
2018-05-14 18:38:49 +00:00
120a18a514
Kahansum fix header
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Former-commit-id: 1679d5170dedf5ef3218182b9e57e8f4f56c4737
2018-05-14 18:35:28 +00:00
4bfd0ce717
Some 2d cartesian vector functions
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Former-commit-id: f5de4b53cee352d5c1866dfc0a771f462b50af7a
2018-05-14 18:00:38 +00:00
41366c175d
Translation operators long range part fourier transform
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Former-commit-id: 7c5e6f557f3334f42e0b3bd955aafdefa775e863
2018-05-14 17:15:12 +00:00
b6e1663619
Fix comments and limits (at least I think it's a fix)
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Former-commit-id: 72f1cddf58f6e6a2e01d1e87174c147c38ead0dd
2018-05-14 15:58:32 +00:00
08f0332dbb
ewald.lyx: Fix sign connection formula for cylindrical bessel functions
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Former-commit-id: 6ab112965c8c3060615baeb3d534bda23bf09d44
2018-05-14 10:43:02 +03:00
8bf9a1c54d
Fix besselbuf sizes, start implementing short-range parts.
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Former-commit-id: 7858c87377afe9e6484f6bd906d2fabfb9953945
2018-05-14 10:02:15 +03:00
51d354985f
More comments
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Former-commit-id: f7abe9035ffeae9e5e22c091ca2b0e034d2b5145
2018-05-14 07:40:08 +03:00
2da546f7c2
More comments to bessels.h
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Former-commit-id: b0a922527c704ac1532db6042239bddab641915c
2018-05-14 07:04:05 +03:00
c0f23fce55
./dipdip-dirty stuff moved to ./qpms + comments, asserts and consts
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Former-commit-id: 6005fcf91ca007b7e6d7093d1e82a0a305f28ffd
2018-05-14 06:52:32 +03:00
9e03e819a9
Some notes about scuff-tmatrix interoperability
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Former-commit-id: c9af5492c190f2012b5592d4434fec776a646de7
2018-05-13 14:55:44 +03:00
a22b6b5712
Cleanup
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Former-commit-id: 3a84f7eb73045e4c1ca6e380f9d1746fb9b870c3
2018-05-13 07:18:56 +00:00
1cf7014415
Making reserve in bessel buffers (TODO check the actual size needed later.)
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Former-commit-id: d062dbb2a6cda23678b4557ce510aa0426a2f73a
2018-05-13 07:02:18 +00:00
6a6a3853e1
Fix regression
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Former-commit-id: 89b21f29bdd06afcb3d49a8532d3a0c551f21a22
2018-05-13 00:15:02 +00:00
d954615db0
Update BUGS
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Former-commit-id: a262bc5b2dbf39fb05918ad3c2bd8c14549d9a9c
2018-05-13 00:04:18 +00:00
e9b97ba808
Translation coefficients now correctly account for csphase
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Former-commit-id: 13bf2de0847b57fe8723968e00000a4ea6bfd315
2018-05-12 07:03:34 +00:00
75e0d135d3
csphvec_reldiff version with tolerance
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Former-commit-id: f2ddb1fd9c55aff96b1e9f4145cb93bf255b6318
2018-05-12 06:09:13 +00:00
9bf0736dd4
Fixes in less used functions
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Former-commit-id: c90e785fd2f7a1672447d4d3136ce7c443dc1b8e
2018-05-11 19:13:02 +00:00
e55847425a
different tests of vswf translations
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csphvec_t norm and relative difference functions
Former-commit-id: 39addcec6e5429e82698751427ffca03168569e3
2018-05-11 14:29:58 +00:00
9e2ad963f4
Xu's antinormalisation (broken, though)
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Former-commit-id: 36ce5c8fdb1e63fe790cb40097f22b38fb2dff00
2018-05-09 08:51:41 +00:00
8f6181ced8
[IN PRO6RESS] Xu's antinormalisation
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Former-commit-id: 577e58118d7da93b927035b4e6e91c6c4cdab485
2018-05-08 15:39:12 +03:00
45edb30a62
Split Xu and None.
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Former-commit-id: 3a7198907df8d1cbcb41ad7f0923bc8757183d83
2018-05-07 03:46:55 +00:00
0b4044f267
Fix translation coefficient magnitude for unnormalized waves.
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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
1665474b3d
Fix translation coefficient magnitude factor for power norm.
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Former-commit-id: 645b9b3517af9d2c2a9ef3e0223307d21f3c89fa
2018-05-06 20:38:33 +00:00
1cf9eac0ba
Revert accidentally deleted code
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Former-commit-id: 0644367bdab1c407898a6e869c21b07f392c9c53
2018-05-06 19:29:20 +00:00
Marek Nečada