572a5bb4bd
New random input data for integral tests
...
Former-commit-id: eb1c229e56956ec17f9bb23f1d8f49674d267656
2018-08-19 06:55:54 +00:00
2b0a16f56c
Mathematica integration test
...
Former-commit-id: 810941fd93cdf9d26668f74f9e2e5941e5102201
2018-08-19 09:41:24 +03:00
3b89f6fbfc
Integrals test input values
...
Former-commit-id: b11aa3dcc87bbccf77f3e4449c6d0ad6045f9bb4
2018-08-19 06:37:02 +00:00
dd95de97f2
Test direct quadrature of the sigma2 integral in Ewald sums. C
...
Former-commit-id: 50b7bf83971c9693b59256e6f02b99acb2e84581
2018-08-18 08:50:04 +00:00
8ca7671092
Notes: how does the l-cutoff affect absorption?
...
Former-commit-id: 059c1f8a7aa29f19e2febe54d360ab045782603b
2018-08-12 20:54:14 +00:00
9e30722756
Permutation group homomorphism – sympy/numpy versio
...
Former-commit-id: 9fbc18dc9d2e4f22a5450e8e2aca799da45f5698
2018-08-08 22:55:07 +03:00
6314a21eb0
Note smash stacking bug
...
Former-commit-id: 6b73fbac57463b6f391fb73dfd243692b2434690
2018-05-18 07:12:15 +03:00
fb78c7fa48
Check argc
...
Former-commit-id: 11ffbe17d94708b8755f3a228040e723c987b248
2018-05-17 23:12:52 +00:00
c4a6841973
Fix filename
...
Former-commit-id: cbea92bd158077948efb2a8ec933e01fd4132822
2018-05-18 01:59:13 +03:00
f42cdb8f6b
Calculating W with "smarter" I/Owq
...
Former-commit-id: 4155eaf7aab80dc121976555f8595f7c1549af84
2018-05-17 22:22:11 +00:00
7c55453287
fix k loading in loadWfile
...
Former-commit-id: 93cc473f2bfd4229a5290ede85b3cd4b78b50694
2018-05-17 20:15:08 +03:00
6049c8425f
Loading Ws files
...
Former-commit-id: 6d72c394d5b5817efc8ecbdcb5add071111bbf2d
2018-05-17 13:00:44 +03:00
294ed51075
Preciser name
...
Former-commit-id: e0df33a7873d52adb6e2a73c3c94f1d94a699371
2018-05-17 06:04:03 +03:00
a7e74d7bf4
Minor tweak
...
Former-commit-id: 3e8bcfa06b17bd6defa0a60f0f394d9ef4cf14a8
2018-05-17 06:02:05 +03:00
d00ffb2de2
Loading W lattice sums in python
...
Former-commit-id: 041c0d9b2c2be5f9392b09a1a22ef0300a1555cc
2018-05-17 06:00:01 +03:00
cbab332c34
loading tmatrices from the new scuff-tmatrix versions
...
Former-commit-id: fe8b6c63e859ea18cf3415deee38258aa7bde50c
2018-05-16 21:04:15 +03:00
12f9191a09
Test the translation operator array function
...
Former-commit-id: b2ccef5adc99d27e24e730b817ce40ae0c98d4c2
2018-05-16 13:01:14 +03:00
f1bb8a7c35
BUGS: noticed probable float overflow
...
Former-commit-id: ffdedd9fe3935b65f51a88b26c220abf2dd8766c
2018-05-16 12:12:51 +03:00
961baedc61
Test array version of translation functions -- incomplete.
...
Former-commit-id: 191be54debe2306df7133ac4f48202e94e87cfa2
2018-05-16 05:05:20 +00:00
1cc1793f57
Fix memory corruption, python package installability
...
Former-commit-id: d9d89ff20b67132e8d88d55b206a8856a395f1f2
2018-05-15 14:37:05 +03:00
65e8271feb
hexlattice_ewald: už to něco robí
...
Former-commit-id: c55716f7ac150413bd0c5891eba4995ea521fffe
2018-05-15 11:03:33 +03:00
81803d16a4
Hexlattice ewald summation compiles
...
Former-commit-id: 4bdbd08da64527e77926f66656ef1b0b81546cdb
2018-05-15 01:47:07 +00:00
2b00af241e
More 2d vectors features
...
Former-commit-id: d260aeb125cbefaefcadd375c148ce06e8ba96be
2018-05-14 23:15:29 +00:00
8123af47b3
Triangular lattice generation
...
Former-commit-id: b747cba4af2cd1fefe5420a551d3524cc184adca
2018-05-14 20:05:31 +00:00
5365ae97d5
hexlattice ewald: lattice generation
...
Former-commit-id: 1b7494125603332d5bb2ffb3e607095452661c50
2018-05-14 18:38:49 +00:00
120a18a514
Kahansum fix header
...
Former-commit-id: 1679d5170dedf5ef3218182b9e57e8f4f56c4737
2018-05-14 18:35:28 +00:00
4bfd0ce717
Some 2d cartesian vector functions
...
Former-commit-id: f5de4b53cee352d5c1866dfc0a771f462b50af7a
2018-05-14 18:00:38 +00:00
41366c175d
Translation operators long range part fourier transform
...
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)
...
Former-commit-id: 72f1cddf58f6e6a2e01d1e87174c147c38ead0dd
2018-05-14 15:58:32 +00:00
08f0332dbb
ewald.lyx: Fix sign connection formula for cylindrical bessel functions
...
Former-commit-id: 6ab112965c8c3060615baeb3d534bda23bf09d44
2018-05-14 10:43:02 +03:00
8bf9a1c54d
Fix besselbuf sizes, start implementing short-range parts.
...
Former-commit-id: 7858c87377afe9e6484f6bd906d2fabfb9953945
2018-05-14 10:02:15 +03:00
51d354985f
More comments
...
Former-commit-id: f7abe9035ffeae9e5e22c091ca2b0e034d2b5145
2018-05-14 07:40:08 +03:00
2da546f7c2
More comments to bessels.h
...
Former-commit-id: b0a922527c704ac1532db6042239bddab641915c
2018-05-14 07:04:05 +03:00
c0f23fce55
./dipdip-dirty stuff moved to ./qpms + comments, asserts and consts
...
Former-commit-id: 6005fcf91ca007b7e6d7093d1e82a0a305f28ffd
2018-05-14 06:52:32 +03:00
9e03e819a9
Some notes about scuff-tmatrix interoperability
...
Former-commit-id: c9af5492c190f2012b5592d4434fec776a646de7
2018-05-13 14:55:44 +03:00
a22b6b5712
Cleanup
...
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.)
...
Former-commit-id: d062dbb2a6cda23678b4557ce510aa0426a2f73a
2018-05-13 07:02:18 +00:00
6a6a3853e1
Fix regression
...
Former-commit-id: 89b21f29bdd06afcb3d49a8532d3a0c551f21a22
2018-05-13 00:15:02 +00:00
d954615db0
Update BUGS
...
Former-commit-id: a262bc5b2dbf39fb05918ad3c2bd8c14549d9a9c
2018-05-13 00:04:18 +00:00
e9b97ba808
Translation coefficients now correctly account for csphase
...
Former-commit-id: 13bf2de0847b57fe8723968e00000a4ea6bfd315
2018-05-12 07:03:34 +00:00
75e0d135d3
csphvec_reldiff version with tolerance
...
Former-commit-id: f2ddb1fd9c55aff96b1e9f4145cb93bf255b6318
2018-05-12 06:09:13 +00:00
9bf0736dd4
Fixes in less used functions
...
Former-commit-id: c90e785fd2f7a1672447d4d3136ce7c443dc1b8e
2018-05-11 19:13:02 +00:00
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
9e2ad963f4
Xu's antinormalisation (broken, though)
...
Former-commit-id: 36ce5c8fdb1e63fe790cb40097f22b38fb2dff00
2018-05-09 08:51:41 +00:00
8f6181ced8
[IN PRO6RESS] Xu's antinormalisation
...
Former-commit-id: 577e58118d7da93b927035b4e6e91c6c4cdab485
2018-05-08 15:39:12 +03:00
45edb30a62
Split Xu and None.
...
Former-commit-id: 3a7198907df8d1cbcb41ad7f0923bc8757183d83
2018-05-07 03:46:55 +00:00
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
1665474b3d
Fix translation coefficient magnitude factor for power norm.
...
Former-commit-id: 645b9b3517af9d2c2a9ef3e0223307d21f3c89fa
2018-05-06 20:38:33 +00:00
1cf9eac0ba
Revert accidentally deleted code
...
Former-commit-id: 0644367bdab1c407898a6e869c21b07f392c9c53
2018-05-06 19:29:20 +00:00
5e45afad38
indent
...
Former-commit-id: a56647c77be3363a71248e7ade21dd52b1d515a8
2018-05-06 19:13:10 +00:00
Marek Nečada