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mducle / lucan_comparison_spag.ipynb
Created September 23, 2024 18:48
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@mducle
mducle / lucan_run_inspector.ipynb
Created October 9, 2024 15:18
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@mducle
mducle / lucan_materialize.ipynb
Created October 9, 2024 16:58
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mducle / pyspinw_syntax_proposal.py
Last active October 31, 2024 17:23
New spinw syntax proposal
from ase import Atom
from spinw import Lattice, Interaction
import numpy as np
import matplotlib.pyplot as plt
"""
% Matlab code
linipo = spinw;
linipo.genlattice('lat_const', [10.02 5.86 4.68],'sym','P n m a');
linipo.addatom('r',[1/4 1/4 0],'S',1,'label','MNi2','color','b')
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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);
@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 / test_R2024b.ctf
Created January 30, 2025 17:45
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.
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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 / test_R2023a.ctf
Last active February 5, 2025 16:00
b85 encoded ctf for testing libpymcr
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