>> 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.
Perhaps someone who is currently working with .cube files would have a better idea of of some upper and lower limits ... Park? Rick? Horst? > I dont think as much precision a G writes out is needed either, > since one would never visually see the difference. Agreed. In the Jmol context it is being used for visualization, not calculation. Plus the surface tessellation is rather noisy anyway. Based upon what I have seen, I think that three digits to the right of the decimal point would be plenty. Miguel ------------------------------------------------------- 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_idt77&alloc_id492&op=click _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
