Unexpected behaviour of equivsplit function

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katarkon
Local Expert
Posts: 185
Joined: Mon Jan 12, 2015 4:01 am

Unexpected behaviour of equivsplit function

Post by katarkon »

The function equivsplit throws an error when nuclear spin I=0 is used. Of course, the calculation of the splitting pattern in this case is unreasonable, but it should be better return expected [1] value instead of error.
Stefan Stoll
EasySpin Creator
Posts: 1047
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Unexpected behaviour of equivsplit function

Post by Stefan Stoll »

Good point. This will be fixed in the next version.
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