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Curry and Crystal Symmetry

Posted: Thu May 30, 2024 1:29 pm
by djrbrook

Hi:

I'm finding curry throws an error if I use any value for CrystalSymmetry other than 1 or 2 (i.e. P1 and P-1)

e.g. with

Sys.S = [0.5000 0.5000]
Sys.J= -1.0493e+07
Sys.dip = [9.0893e+04 1.0207e+04]
Sys.g = [ 2.1509 2.0502 1.9900; 2.0027 2.0027 2.0027]
Sys.TIP=0

Expt.Temperature=1:300
Expt.Field=100
Expt.CrystalSymmetry=3
Expt.SampleFrame=[0 0 0]

When I run curry I get:

curry(Sys,Expt)
Index exceeds the number of array
elements. Index must not exceed 1.

Error in curry

Dave


Re: Curry and Crystal Symmetry

Posted: Fri Jun 07, 2024 10:21 pm
by Stefan Stoll

This is a bug - thanks for reporting! It is now fixed in version 6.0.2.