this is a fine way to do it for something as simple as this. Consider it
done.
Bob
Jonathan Gutow wrote:
>Dear All:
> I have tested the following correction to the GamessReader.java code
>that picks up some of the calculated MOs that Jmol was missing. I am
>not sure how to get it put into the code base, so I will post it here.
>
>The fix is to change line 75 of GamessReader.java from:
>
> } else if (iHaveAtoms && line.indexOf("EIGENVECTORS") >= 0) {
>to:
> } else if (iHaveAtoms && (line.indexOf("EIGENVECTORS") >= 0
>|| line.indexOf("MOLECULAR ORBITALS") >= 0)) {
>
>Jonathan
>
> Dr. Jonathan H. Gutow
>Chemistry Department [EMAIL PROTECTED]
>UW-Oshkosh Office:920-424-1326
>800 Algoma Boulevard FAX:920-424-2042
>Oshkosh, WI 54901
> http://www.uwosh.edu/faculty_staff/gutow/
>
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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
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