Marek Nečada
|
74dc487732
|
Fix test
Former-commit-id: c4fd55d8f4694271bf478e0eb6c4c25c472e6c49
|
2018-08-24 08:07:48 +00:00 |
|
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
|
78f0e56082
|
Shifted Fourier transform in the Ewald notes
Former-commit-id: 11eee4d35dc524692ba6077e7a2da6c1b636df7d
|
2018-08-21 10:36:45 +00:00 |
|
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
|
8ca7671092
|
Notes: how does the l-cutoff affect absorption?
Former-commit-id: 059c1f8a7aa29f19e2febe54d360ab045782603b
|
2018-08-12 20:54:14 +00:00 |
|
Marek Nečada
|
9e30722756
|
Permutation group homomorphism – sympy/numpy versio
Former-commit-id: 9fbc18dc9d2e4f22a5450e8e2aca799da45f5698
|
2018-08-08 22:55:07 +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
|
f1bb8a7c35
|
BUGS: noticed probable float overflow
Former-commit-id: ffdedd9fe3935b65f51a88b26c220abf2dd8766c
|
2018-05-16 12:12:51 +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
|
08f0332dbb
|
ewald.lyx: Fix sign connection formula for cylindrical bessel functions
Former-commit-id: 6ab112965c8c3060615baeb3d534bda23bf09d44
|
2018-05-14 10:43:02 +03:00 |
|
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
|
9e03e819a9
|
Some notes about scuff-tmatrix interoperability
Former-commit-id: c9af5492c190f2012b5592d4434fec776a646de7
|
2018-05-13 14:55:44 +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 |