Hi all, I've partly ported the MOPAC 97/2002 Reader from Jmol v9 to the v10 preseries. It includes reading of cartesian coordinates, but not the vibrations yet. And I added reading partial atomic charges from the output files.
CVS contains two 93 files, which work, but I have not been able to test it with files other than these two... So, I would like to get a few additional test files: - geometry optimization output from 97 and 2002 - vibration (IR) calculations for 93, 97 and 2002 Please only send files that can be redistributed along with Jmol. Egon ------------------------------------------------------- This SF.Net email is sponsored by: Oracle 10g Get certified on the hottest thing ever to hit the market... Oracle 10g. Take an Oracle 10g class now, and we'll give you the exam FREE. http://ads.osdn.com/?ad_id=3149&alloc_id=8166&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
