Garlic -- spectral construction engine
Posted: Tue Sep 22, 2020 2:33 am
I have encountered unexpected behaviour from the spectral construction engine in garlic. I have included a very short code snippet as an example to demonstrate this. It appears that the engine is unable to evaluate the `explicit' accumulation method for a pure Gaussian line shape. I have reproduced this behaviour in both EasySpin 5.2.28 and 6.0.0-dev.25.
Code: Select all
clear, clc
[Sys, SimOpt] = getParams(1);
Exp.mwFreq = 9.5;
[B, Sim] = garlic(Sys, Exp, SimOpt);
figure(1), clf, plot(B, Sim)
function [Sys, SimOpt] = getParams(n)
switch n
case 1
Sys.lwpp = [0.4];
SimOpt.AccumMethod = '';
case 2
Sys.lwpp = [0 0.4];
SimOpt.AccumMethod = '';
case 3
Sys.lwpp = [0.4];
SimOpt.AccumMethod = 'explicit';
case 4
Sys.lwpp = [0 0.4];
SimOpt.AccumMethod = 'explicit';
case 5
Sys.lwpp = [0.4 1e-4];
SimOpt.AccumMethod = 'explicit';
end
end