>If noone has such a program, then *maybe* I'll do it and include it in the >Jmol distribution. Tell me some reasonable defaults for: > 1. upper limit > 2. lower limit > 3. digits of precision
Gosh, we did this about 12 years ago, and we worked this all out then, but I would have to look at it all again to tell you the answers. I dont know the upper limit is needed, only something effectively zero. I dont think as much precision a G writes out is needed either, since one would never visually see the difference. -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); [EMAIL PROTECTED] (iChat) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter in operation for received email. If expected reply not received, please phone/fax). ------------------------------------------------------- SF.Net email is sponsored by: Discover Easy Linux Migration Strategies from IBM. Find simple to follow Roadmaps, straightforward articles, informative Webcasts and more! Get everything you need to get up to speed, fast. http://ads.osdn.com/?ad_id=7477&alloc_id=16492&op=click _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
