6.0.0-dev.30 resfields doesn't consider all symmetry sites

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eprMagic
Newbie
Posts: 1
Joined: Tue Mar 09, 2021 6:09 am

6.0.0-dev.30 resfields doesn't consider all symmetry sites

Post by eprMagic »

Hello,
I noticed, when calculating epr roadmaps for single crystal rotation, and the CrystalSymmetry is indicated, spectra for only one site is calculated.
Indicating sites in Opt.Sites doesn't help. Pepper works fine though.
In version 5 'resfields' works fine.
Here's how it looks like using example script 'crystalroadmap.m' from the documentation:
On the left calculated with 6.0.0-dev.30, on the right - with 5.2.30.
Image

Could be a bug or something changed?

Stefan Stoll
EasySpin Creator
Posts: 1050
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: 6.0.0-dev.30 resfields doesn't consider all symmetry sites

Post by Stefan Stoll »

This is a bug, and it is fixed in 6.0.0-dev.31.

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