Problem with chili from EasySpin 6.0.0

[Emilien]

Dear all,

I don't understand the meaning of the warning displayed when using chili with two nucleus with EasysSpin 6.0.x.
This code for example:

Code: Select all

Exp.mwFreq=9.8;
Exp.Range=[341 357];

Sys.g=[2.0082 2.0061 2.0022];
Sys.logtcorr=-9;
Sys.Nucs='14N,1H';
Sys.A=[14  14  104;...
        8   11   14];

chili(Sys,Exp)

results in a lot of:

Warning: Colon operands must be real scalars. This warning will become an error in a future release.
In chili_basisbuild
In chili
In compisoloop
In chili
In testA2 (line 13)

The calculation is considerably slower than a calculation made with previous versions of EasySpin (<6.0.0), for which there was no warning.

Thks for your help!
Emilien

[Stefan Stoll]

This warning is generated as a result of a bug - thanks for reporting! It is fixed in 6.0.3.

The slowdown is most likely due to the many warning messages printed. With the warnings gone, the simulation should take about the same time as in 5.x.