It seems to be coughing on the following line... LZ VALUE ANALYSIS FOR THE MOS ---------------------------------------- I'm not sure what this is. It relates to something called the LZ degeneracy tolerance. I don't see it in UHF calculation I've done using GAMESS-US.
George is this a special setting? Jonathan On Aug 18, 2010, at 2:40 PM, Jonathan Gutow wrote: > It definitely doesn't work...This will take a little tracing...I've certainly > loaded unrestricted calculations before. Thanks for spotting this. > Jonathan > On Aug 18, 2010, at 1:52 PM, Whitwell, George wrote: > >> Bob et al, >> I greatly enjoyed the workshop and am on my way to including Jmol in my >> teaching materials. I’ll let you know if anything special pops out. >> >> I mentioned to Jonathan a problem I found reading GAMESS output files. If I >> use SCFTYP=UHF, Jmol chokes on the output. I’ve attached example files. >> >> Thanks, >> George >> >> Dr. George E. Whitwell >> Assistant Professor – Chemistry >> North Carolina Wesleyan College >> Rocky Mount, NC >> (252) 985-5159 >> gwhitw...@ncwc.edu >> >> <WGoutput.zip> > > 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 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
