From: Robert H. <ha...@st...> - 2010-10-04 21:09:46
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491 molecular orbitals read in model 2 150 molecular orbitals read in model 156 Not sure what that's all about, but you probably do. This is in the Java console. I'm thinking I should have it sent to the standard console as well. People need to see this. Bob On Mon, Oct 4, 2010 at 12:19 PM, Marco Zimmer-De Iuliis <mar...@gm... > wrote: > Hello all, > > As far as I understand it, Jmol should be able to display molecular > orbitals from the output of a GAMESS(US) calculation (.log file). > > I have tried a number of different calculations (DFT geometry > optimizations, energy caluclations, freuqency analysis) and when I open > these files in Jmol, the "Molecular Orbitals" part of the menu is greyed > out. > > I also took the examples from the Jmol wiki page and tried those and I get > the same thing. > > How can I visualize molecular obritals? Why is this section greyed out? I > am using Jmol 12.0.10. > > Thanks, > Marco > > > ------------------------------------------------------------------------------ > Virtualization is moving to the mainstream and overtaking non-virtualized > environment for deploying applications. Does it make network security > easier or more difficult to achieve? Read this whitepaper to separate the > two and get a better understanding. > http://p.sf.net/sfu/hp-phase2-d2d > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |