I am teaching a couple of undergraduates to do anharmonic IR spectrum simulations using CFOUR and GAMESS. Currently they are using Avogadro to look at .xyz and molden files from CFOUR and to help create inputs for GAMESS, and look at some of its output. So far molecules have been no more than about 15 atoms. Steve Williams
----- Original Message ----- From: Geoffrey Hutchison <geo...@pitt.edu> Date: Wednesday, May 16, 2012 3:56 pm Subject: [Avogadro-Discuss] Teaching and Walk-Throughs To: Avogadro-devel Devel <avogadro-de...@lists.sourceforge.net>, avogadro-discuss@lists.sourceforge.net > As the Avogadro 1.1 release nears, I'm taking some time to update > the website. I'm curious if you've used Avogadro in teaching and > have materials that you're willing to share. (I have some new > lessons which will be posted.) > > Similarly, I'm working on walk-through tutorials for some of the > new features, and was curious if there's interest in other types of > walk-throughs. > > Please post your thoughts, > -Geoff > > --- > Prof. Geoffrey Hutchison > Department of Chemistry > University of Pittsburgh > tel: (412) 648-0492 > email: geo...@pitt.edu > web: http://hutchison.chem.pitt.edu/ > > > -------------------------------------------------------------------- > ---------- > Live Security Virtual Conference > Exclusive live event will cover all the ways today's security and > threat landscape has changed and how IT managers can respond. > Discussions > will include endpoint security, mobile security and the latest in > malware > threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ > _______________________________________________ > Avogadro-Discuss mailing list > Avogadro-Discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/avogadro-discuss > ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
