I just updated the GAMESS reader so that it would work with files that include a line "LZ VALUES..." just after the alpha set, and I noticed that as well. Yes, it was deliberately set that way --- that beta orbitals are not read by default. To read the BETA orbitals, use
load "xxxxx.out" filter "BETA" probably needs documentation.... Will that do? Bob On Thu, Aug 19, 2010 at 7:41 AM, Jonathan Gutow <gu...@uwosh.edu> wrote: > It appears we have more problems than just the slight change in file > format...At some point we changed things so that in UHF files (even the old > format) the beta set of orbitals is not read. I guess I haven't checked > this in about 6-8 months. Bob, I may need you to help me on this. > > Jonathan > Dr. Jonathan H. Gutow > Chemistry Department gu...@uwosh.edu > UW-Oshkosh Office: 920-424-1326 > 800 Algoma Boulevard FAX:920-424-2042 > Oshkosh, WI 54901 > http://www.uwosh.edu/facstaff/gutow > > > > ------------------------------------------------------------------------------ > This SF.net email is sponsored by > > Make an app they can't live without > Enter the BlackBerry Developer Challenge > http://p.sf.net/sfu/RIM-dev2dev > _______________________________________________ > Jmol-developers mailing list > Jmol-developers@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-developers > -- 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
------------------------------------------------------------------------------ This SF.net email is sponsored by Make an app they can't live without Enter the BlackBerry Developer Challenge http://p.sf.net/sfu/RIM-dev2dev
_______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
