Garlic -- spectral construction engine

[jar19]

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

[Stefan Stoll]

Good catch! This is indeed a bug, and we'll fix for 6.0.0. Thanks for reporting.