Problem with chili from EasySpin 6.0.0

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Emilien
Resident User
Posts: 69
Joined: Mon Apr 20, 2015 12:13 am

Problem with chili from EasySpin 6.0.0

Post by 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
EasySpin Creator
Posts: 1106
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Problem with chili from EasySpin 6.0.0

Post by 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.

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