Re: [Avogadro-Discuss] viewing orbitals from mopac output

2016-11-17 Thread Geoffrey Hutchison
> I am using Avogadro to generate the mopac input files, and AUX is included > when I run the Mopac calculation. Can you zip up the files and e-mail them to me (off-list) and I'll take a look? I've been running lots of MOPAC calculations for my class this term, so it should be working?

Re: [Avogadro-Discuss] viewing orbitals from mopac output

2016-11-17 Thread Geoffrey Hutchison
> I have tried using the mopac LARGE keyword, as well as the GRAPH and GRAPHF > keywords but Avogadro still does not display the orbitals. Avogadro has used the AUX keyword. I can look into the GRAPH and GRAPHF, which are newer features. (I see, for example, that WebMO and JMol use these.)