Hi Geoff, I am using Avogadro to generate the mopac input files, and AUX is included when I run the Mopac calculation.
GRAPH and GRAPHF are recommended when using Jmol to view the output, I thought I would try them to see if they would also allow Avogadro to view the orbitals. Steve ------------- Dr. Steven P. Wathen Professor of Chemistry Siena Heights University 1247 East Siena Heights Drive Adrian, MI 49221 (517) 264-7657 swat...@sienaheights.edu ________________________________________ From: Geoffrey Hutchison <geoff.hutchi...@gmail.com> Sent: Thursday, November 17, 2016 12:41 PM To: avogadro-discuss@lists.sourceforge.net Subject: Re: [Avogadro-Discuss] viewing orbitals from mopac output > 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.) Hope that helps, -Geoff ------------------------------------------------------------------------------ _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss ------------------------------------------------------------------------------ _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
