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mducle / pyspinw_testall.m
Created March 2, 2026 19:55
close all
%%
AFMchain = spinw;
AFMchain.genlattice('lat_const',[8 3 8],'angled',[90 90 90],'spgr',0);
AFMchain.addatom('r',[0 0 0],'S',1,'label','MCu1','color','blue');
AFMchain.gencoupling('maxDistance',7)
AFMchain.addmatrix('label','Ja','value',1,'color','red');
AFMchain.addcoupling('mat','Ja','bond',1);
%AFMchain.genmagstr('mode','direct','k',[1/2 0 0],'n',[1 0 0],'S',[0; 1 ;0],'nExt');
AFMchain.genmagstr('mode','direct','nExt',[2 1 1],'S',[0 0; 1 -1; 0 0]);
@mducle
mducle / pyspinw_testall.py
Created March 2, 2026 19:55
from multiprocessing.spawn import freeze_support
from pyspinw.anisotropy import AxisMagnitudeAnisotropy
from pyspinw.coupling import HeisenbergCoupling
from pyspinw.hamiltonian import Hamiltonian
#from pyspinw.interface import couplings, axis_anisotropies, filter
from pyspinw.interface import *
from pyspinw.legacy.genmagstr import genmagstr
from pyspinw.path import Path, Path1D
from pyspinw.sample import Powder
@mducle
mducle / mantid_env.txt
Created January 21, 2026 15:08
Updating specs:
- mantidworkbench
Package Version Build Channel Size
----------------------------------------------------------------------------------------------------
Install:
----------------------------------------------------------------------------------------------------
@mducle
mducle / nexusfile_symbols.txt
Created April 29, 2025 13:15
public: void __cdecl NeXus::File::getData<__int64>(class std::vector<__int64,class std::allocator<__int64> > & __ptr64) __ptr64
public: void __cdecl NeXus::File::getData<__int64>(__int64 * __ptr64 const) __ptr64
public: void __cdecl NeXus::File::getData<unsigned __int64>(class std::vector<unsigned __int64,class std::allocator<unsigned __int64> > & __ptr64) __ptr64
public: void __cdecl NeXus::File::getData<unsigned __int64>(unsigned __int64 * __ptr64 const) __ptr64
public: void __cdecl NeXus::File::getData<BOOL>(BOOL * __ptr64 const) __ptr64
public: void __cdecl NeXus::File::getData<signed char>(class std::vector<signed char,class std::allocator<signed char> > & __ptr64) __ptr64
public: void __cdecl NeXus::File::getData<signed char>(signed char * __ptr64 const) __ptr64
public: void __cdecl NeXus::File::getData<char>(class std::vector<char,class std::allocator<char> > & __ptr64) __ptr64
public: void __cdecl NeXus::File::getData<char>(char * __ptr64) __ptr64
public: void __cdecl NeXus::File::getData<unsigned cha
@mducle
mducle / test_R2023a.ctf
Last active February 5, 2025 16:00
b85 encoded ctf for testing libpymcr
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@mducle
mducle / test_R2024a.ctf
Created January 30, 2025 23:06
b85 encoded ctf for testing libpymcr
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@mducle
mducle / pace_neutrons_installer_24b.exe
Created January 30, 2025 17:45
b85 encoded ctf for testing libpymcr
This file has been truncated, but you can view the full file.
O<Iru0{{R31ONa4|Nj60xBvhE00000KmY&$0000000000000000000000000000000000000000009614j;M>0JI6sA-Dld%^_51X>%ZOa&KpHVQnB|VQy}3bRc47AaZqXAZczOL{C#7ZEs{{E)5L|Bme*a00000P8W`o3U=VY3U=VY3U=VY9v$Ps0CwQO9v$St8Ft{n9v$Vuy>{Tht_bA88+PEpt_b770CwQOt_bD9RCeIN9v$Jq2X^4V3U=YZ!*<}n5DDeM33lMX5D6c^3wGeZ3U+tE3wGeZ5DDVJ3wGeZQfXso3U=VY0000000000P(=U$WQGR-?I_bO0000000000@BktJ3jz)#06Yu;0CWWa00000*oy@K01yBG0000$0RR9101yBG00IC21^@s6000001^@s60000003Z?o00aO4&Px&i0svrv000040000001yBG00000000mG0000001yBG00000000005C8xG0000000000;L{EOi~s-t01yxWi1Gmd08kGAB&YxY0J0GPC@BB{01y%YBo6=pymSo!Z~y=R000000000000000000000000000000z>*9AKmh;%000000000008k77a0UPXywVN;KmY&$00000000000000000000E_7vhbN~PVygCd301yBG06Yu;00aO4000000000000000AOHYhE^=gHbYTDhGMWMa08k770Gt8<06+`?000000000000000KmY(hE@WYJVE_OCkWl~t0Pqd~04M+e0Nf4$000000000000000KmY*1E^uUFbYTDhB&YxY08kGA0IC2000a*J000000000000000KmY(hUs6OtR6zg$Tmb+8000mG00IC20Im-J000000000000000KmY(hE^>2nV*mgEi1Gmd01yxW0Q3O>0I&}L000000000000000KmY(hE^=jTZ({%eBo6=p01y%Y01yBG0HhHB000000000000000KmY(j000000000000000000000000
@mducle
mducle / test_R2024b.ctf
Created January 30, 2025 17:45
b85 encoded ctf for testing libpymcr
P)h>@6aWAK2mk;8Api<NgOR}s005^T001BW003WjZESOCXKrD1b#i5MFLP;UaA9L>VP|D?X=g5YZEVe%S#z7p5`h1T%Xy@1b|g}9PKiw*7O_f5FDV4WBC&}b{rZb+$MHGIz4tgvl~pbo%``pJAKlZ;^ryduEWPPKRVPLMaEsm}w>Kd7iy+CPhg-)M?&h~Qb>roMmlipAxE(=#d-K=lPgWA;Uei|KMhYHoUw)OIfAS(wC(-TAq&cr2ZsVpYKf-X|_xC-1UsMr{AqWB^G&~6eljMinCv_l@^00W*ZLF6UdE$F%a`BqU0u?lI5!@`&sHl=A&VHoEHm{mc*yP!}N!6W?68YV=1;J7B7Jg;gztQ%n3L(Bu>MkoP@S&=`yE^tr6uas(K?te|D!8%768sy>)`uhTo7)@5lpbzBB!T`!^||@;CoY)~H*cKYG=mS{CiSFZ<E1V5tgUAIi;x&0aT@VzuKHe*W!sV>7~9>h+ek-AhhZ0bNR*8Z6FSVDmXZ&*+e0b)*jgr(-Xxfy#8e31lH24$bTw%_JbZ#*kMaqA0Wn>Fd*H8tKMA^<!rJIz-Qy7}W1X$r1J(36yf3Rmu=Gt@NyC*+vvHh2^E5T8btvJ<0f$*?zHdOYS51^M1?G4bympDq(g+sM*xEU;$VIIi%~rN;pr;#Vq_vqZ9$HMy#{?EE-f3HY1|7{s-nur;mC7#jb5XB0DWim17!{)*IYYd%jp1_M;o2bR9kC1$cNc~{yK6xgl|UcHqwL$pc8yu5mBH)Ug5gs+mUMWzu{K?_610ZN;wrUZCxD~FfGigWbQdC<O}pNEnZ`6eq#b9)N-PyZKeuQ&A&2>8D$cmm%=3$`GJ;`KRem=*rZ^U38qUu&yHHby*mVfXCr!O!1UFSNfm8Q~7CkMlkK-SpKRr3rV+8-x$)3XSV;Ou4#oCWS=GFH_3G%5oEUL_F>PI(w4*RRSQE-q%N#mt=_1DoRk5#=q2`5*09Sx7(4d1K0y@0dl{`*PsUu=;#Aa5R{#VgBn3h--i!(ATSPeaCiQJw1
@mducle
mducle / mod_funs.for
Created January 14, 2025 01:56
Moderator functions from original Fortran CHOP by T.G. Perring
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
C
C SUBROUTINE TIKEDA(S1,S2,B1,B2,EMOD,EI,TAUSQR)
C =============================================
C Works out the variance of the moderator pulse for a moderator
C described by an Ikeda-Carpenter time pulse. Answer in sec**2.
C
C S1 constant in expression for macroscopic xsect R*8
C of moderator. Units: m**-1
C S2 gradient of wavelength**2 in expression for xsect R*8
@mducle
mducle / lm4_boxstart.diff
Created November 14, 2024 18:33
diff --git a/+sw_tests/+unit_tests/unittest_ndbase_optimisers.m b/+sw_tests/+unit_tests/unittest_ndbase_optimisers.m
index 5f6d9f5..9ec3ffe 100644
--- a/+sw_tests/+unit_tests/unittest_ndbase_optimisers.m
+++ b/+sw_tests/+unit_tests/unittest_ndbase_optimisers.m
@@ -59,25 +59,25 @@ classdef unittest_ndbase_optimisers < sw_tests.unit_tests.unittest_super
function test_optimise_rosen_upper_bound_minimum_not_accessible(testCase, optimiser)
[pars_fit, cost_val, ~] = optimiser([], testCase.rosenbrock, [-1,-1], 'ub', [0, inf]);
testCase.verify_val(pars_fit, [0, 0], 'abs_tol', 1e-3);
- testCase.verify_val(cost_val, 1, 'abs_tol', 2e-3);
+ testCase.verify_val(cost_val, 1, 'abs_tol', 1e-4);