-
4695792772
Test of the new api – results disagree with the old one.
Marek Nečada
2018-12-11 11:36:12 +0000
-
3972f0a2e3
ewald.c fix new init memory management.
Marek Nečada
2018-12-11 11:09:38 +0000
-
f3e1e70b62
l2d unit cell area calculation
Marek Nečada
2018-12-11 06:51:23 +0000
-
8ce2956911
Dudom; towards general 2D ewald sums
Marek Nečada
2018-12-10 18:47:27 +0200
-
105cf3e993
C lattices: Implement 2D reciprocal basis calculation. Untested.
Marek Nečada
2018-12-10 18:13:33 +0200
-
490e6491d0
Generic ("any coordinate system") union point type
Marek Nečada
2018-12-10 17:10:47 +0200
-
2fd17cc697
test_latticegenxyweb.c fix compilation command, add test case.
Marek Nečada
2018-12-10 14:43:11 +0200
-
47cd2b8c59
Latticegen xyWeb, slightly tested as well.
Marek Nečada
2018-12-07 23:11:08 +0000
-
38a26d074b
xyWeb lattice generator, untested
Marek Nečada
2018-12-07 09:55:45 +0000
-
1b24794baa
Refactoring lattice generator API (dimensionality generalisation)
Marek Nečada
2018-12-06 22:30:34 +0000
-
0719043653
Polar and 2D cartesian coordinate conversions
Marek Nečada
2018-12-06 21:33:45 +0000
-
530270b5af
lattices2d.c implement finding the "base vector hexagon" inscribed sphere radius
Marek Nečada
2018-12-06 20:42:11 +0000
-
a06ac73663
Práce na generátorech mřížek... Dudom.
Marek Nečada
2018-11-30 16:59:12 +0200
-
45eadd13db
fix z-axis latticegen
Marek Nečada
2018-11-29 16:19:09 +0200
-
6b88106cce
Lattice generator tests.
Marek Nečada
2018-11-29 15:59:45 +0200
-
a300ac9e0f
Lattice gen z-axis done, untested
Marek Nečada
2018-11-29 15:26:26 +0200
-
394fc3813a
Hexlaser paper fix fig S11 axis label crop
Marek Nečada
2018-11-28 18:11:09 +0200
-
ad431b63d8
Copy ewaldshift2.c test to start testing teh new funs
Marek Nečada
2018-11-24 23:12:21 +0000
-
be7da65b5a
Wrap function ewald3_sigma_long
Marek Nečada
2018-11-24 23:10:32 +0000
-
0c55595d08
Implement LR part of 1D in 3D Ewald sum along z-axis; compiles, untested
Marek Nečada
2018-11-24 12:51:57 +0000
-
ccc409ba34
Fix k power in 2D LR part Ewald; alternative expressions for 1D LR part Ewald.
Marek Nečada
2018-11-24 11:10:03 +0000
-
b90bf2875b
Práce na 1D ewaldovi; du dom.
Marek Nečada
2018-11-22 16:49:37 +0200
-
577a4a5a28
Duspát
Marek Nečada
2018-11-22 00:02:31 +0000
-
de316bdfb1
Forgotten header file commit.
Marek Nečada
2018-11-21 19:42:17 +0000
-
c7c9dc52b0
General 3D Ewald short-range part now compiles. Unchecked, untested.
Marek Nečada
2018-11-21 19:41:20 +0000
-
11f380170a
Half-implemented the general short-range part of ewald sum in 3D, unchecked, untested, dudom.
Marek Nečada
2018-11-21 19:49:07 +0200
-
4d38f64b61
Formulation of the "simple" 1D problem
Marek Nečada
2018-11-20 09:59:01 +0000
-
c00855a1e6
dudom
Marek Nečada
2018-11-14 18:36:15 +0200
-
c3a89b24ad
Abstract lattice point generators
Marek Nečada
2018-11-14 15:13:16 +0200
-
f4d4f6f405
ewald.tex (LyX export) should not be in the repo
Marek Nečada
2018-11-14 10:43:37 +0200
-
cffe339c5d
Working on 1D ewald sums
Marek Nečada
2018-11-14 06:37:59 +0000
-
42ae511de6
ewald notes references
Marek Nečada
2018-11-13 09:03:48 +0000
-
3bbdee9726
Some 1D lattice sums
Marek Nečada
2018-11-11 07:06:35 +0000
-
2a5dcd3230
Start implementing the nice functions from lattices.h
Marek Nečada
2018-10-11 10:33:53 +0300
-
408685c606
Enable processing one-line (single K) Wfiles; plots for hexlaser supplementary
Marek Nečada
2018-10-09 10:13:38 +0300
-
156c54f4b3
New fig crosscut image
Marek Nečada
2018-10-05 19:02:06 +0300
-
de32e6f920
Hexlaser theory additions
Marek Nečada
2018-10-04 01:46:02 +0300
-
77b4a5053a
Fix projections problems in ipynotebuuks
Marek Nečada
2018-10-03 20:26:47 +0300
-
c3e234b892
Add yflip possibility to symmetries.py, piecewise loading of Wdata
Marek Nečada
2018-10-03 09:25:05 +0300
-
8507b09332
Fix fatal typo in translations.c
Marek Nečada
2018-10-01 17:03:56 +0300
-
533c3f70bb
Some ndmatrix functions
Marek Nečada
2018-09-30 20:50:23 +0300
-
cdb3264a48
Fix names of D3h irreps
Marek Nečada
2018-09-26 01:17:01 +0000
-
6a07f6a212
More or less finished T-matrix description for hexlaser peper
Marek Nečada
2018-09-25 14:01:46 +0300
-
33a603db38
hexlaser tmatrix text; continuing
Marek Nečada
2018-09-25 11:16:00 +0300
-
19dce993de
hexlaser tmatrixtest continue
Marek Nečada
2018-09-25 09:09:43 +0300
-
e9a2fe69ff
hexlaser tmatrixtest begin
Marek Nečada
2018-09-25 08:32:31 +0300
-
798c69de44
dudom
Marek Nečada
2018-09-24 00:21:15 +0300
-
95eaea1b4b
Function argument name fix
Marek Nečada
2018-09-22 23:05:37 +0300
-
ea2ec950c9
Fix disastrous eta in hexlattice_ewald
Marek Nečada
2018-09-22 22:47:14 +0300
-
a54bd6603d
Testing Ewald self-interaction at K
Marek Nečada
2018-09-22 21:42:04 +0300
-
3236c1e4b7
Irrep generating function to a module (end of ipynb copy-pasting)
Marek Nečada
2018-09-22 04:29:30 +0300
-
dba2b9d104
Fix hexlattice ewald kin option
Marek Nečada
2018-09-19 22:02:20 +0300
-
e5412da897
Fix W data processing
Marek Nečada
2018-09-19 20:48:28 +0300
-
726e5615af
Wdata python processing and loading
Marek Nečada
2018-09-19 18:58:41 +0300
-
2b384a48bf
Fix output formatting
Marek Nečada
2018-09-19 18:41:35 +0300
-
f45b11928e
Hexlattice ewald macro option to read k vectors from stdin
Marek Nečada
2018-09-19 12:39:52 +0300
-
12c92a6423
Fix singular term
Marek Nečada
2018-09-19 10:23:18 +0300
-
fa1cee6c17
Alternative omega input
Marek Nečada
2018-09-19 09:42:44 +0300
-
1cbaf2d993
Deanonymise struct types
Marek Nečada
2018-09-19 09:17:04 +0300
-
1f7ac7c1c1
New hexlattice_ewald.c with real ewald sum
Marek Nečada
2018-09-19 09:16:38 +0300
-
5426d5064c
yet some "real" tests
Marek Nečada
2018-09-19 07:17:04 +0300
-
6a58a89628
Fix function identifier in header
Marek Nečada
2018-09-19 03:17:45 +0000
-
803f1525b4
Ewald A, B coefficient calculator (for arrays).
Marek Nečada
2018-09-19 03:12:35 +0000
-
f660107925
Ewald summation – stupid implementation of alternative lattice sums
Marek Nečada
2018-09-18 10:37:07 +0000
-
68c1bf711a
ewald.c: type qualifiers
Marek Nečada
2018-09-15 18:32:49 +0000
-
169c091806
Shifted lattices now consistent, TODO check overall shift sign and fix LR declarations
Marek Nečada
2018-09-14 21:10:10 +0000
-
182dfa84ca
Ewald sum of shifted lattice test (not working, apparentlyg)
Marek Nečada
2018-09-14 18:15:01 +0300
-
85fb772c40
Testing shifted point ewald sums
Marek Nečada
2018-09-13 06:07:26 +0300
-
a0da08b637
Fix normalisation of test sigma0 factor. Ewald sum working now!
Marek Nečada
2018-09-13 05:32:07 +0300
-
e204242817
Fix branch selection in long-range ewald sum.
Marek Nečada
2018-09-13 01:16:13 +0300
-
0ea6aa8413
Fix test ewalds.c for beta > k
Marek Nečada
2018-09-12 21:08:16 +0300
-
3d83d174bd
Fix points2d_rordered_frompoints last layer r;
Marek Nečada
2018-09-12 20:12:49 +0300
-
5857ade9d1
More test values for ewald.
Marek Nečada
2018-09-11 13:10:25 +0300
-
2388ed6c99
More notes on error bounds.
Marek Nečada
2018-09-11 12:44:15 +0300
-
70f1a0a67a
Hypergeometric 2F2 for calculating lattice sum errors
Marek Nečada
2018-09-11 10:07:37 +0300
-
417464122d
Meze; duspát
Marek Nečada
2018-09-10 22:01:26 +0000
-
9b3632d5a0
Sum upper estimates
Marek Nečada
2018-09-10 20:01:49 +0000
-
84a2b7f64d
Fix spherical harmonics for negative m in ewald.c.
Marek Nečada
2018-09-10 15:28:41 +0300
-
663a5915dd
Print csphase in test output
Marek Nečada
2018-09-10 13:02:12 +0300
-
0426524842
konstantisace; dudopráce
Marek Nečada
2018-09-10 05:10:13 +0000
-
bad8105c9b
Fix legendre function indexing. Test pass for even m now.
Marek Nečada
2018-09-07 20:11:50 +0000
-
1fca413cab
Catch underflows; fix some off-by-one errors. Some test values pass now.
Marek Nečada
2018-09-07 17:46:07 +0000
-
fcf836e62e
[ewald.c] Fix malloc size
Marek Nečada
2018-09-07 12:39:52 +0000
-
fd6380a085
Found some memory-related bug
Marek Nečada
2018-09-06 16:17:28 +0300
-
5357d53fc5
Fix ewalds.c test output; n.b. the current long-range parts.
Marek Nečada
2018-09-06 15:00:38 +0300
-
dc80d64e5b
Fix incomplete gamma error negative sign
Marek Nečada
2018-09-06 12:09:25 +0300
-
1cd4733e85
Fix ewald32_sigma0()
Marek Nečada
2018-09-06 11:52:54 +0300
-
adc731029e
More test params etc. (still wrong results)
Marek Nečada
2018-09-05 19:45:28 +0000
-
d69bd91356
Ewald test fixes.
Marek Nečada
2018-09-05 19:07:41 +0000
-
b707f65d83
Ewald sum first test compiles
Marek Nečada
2018-09-05 18:50:02 +0000
-
e11f995b52
Scalar m,n indexing to allow n = 0.
Marek Nečada
2018-09-05 12:39:02 +0000
-
16ce3a6ba8
Sigma0 ready, it's time for writing some tests.
Marek Nečada
2018-09-05 11:09:22 +0000
-
03ab9755a5
ewald.c compiles
Marek Nečada
2018-09-05 07:58:13 +0000
-
858e997981
Ewald short-range part etc.
Marek Nečada
2018-09-05 09:07:03 +0300
-
f3a0ae6283
Small addition in ewald notes on the sign of m.
Marek Nečada
2018-09-03 20:56:27 +0300
-
fb7b84e066
Note about argument order in translations.h
Marek Nečada
2018-09-03 19:49:33 +0300
-
08f7590f60
Some notes about ewald sums in [LT]
Marek Nečada
2018-09-03 11:07:17 +0300
-
83253bfc0c
Dudom
Marek Nečada
2018-09-02 06:19:50 +0300
-
6c09121a5d
SR ewald sum in progress
Marek Nečada
2018-08-27 11:39:29 +0000
-
7c0f285c23
Jdunakonferenci
Marek Nečada
2018-08-27 10:28:34 +0300