> 3) In calculations involving models with point dipoles (as opposed > to point charges), the vectors can be used to store the directional > information for the dipoles.
I should add that for point dipoles, it would be better to show the arrows *centered* on the atomic centers instead of starting from the atomic centers, but that added more verteces to be transformed by the rotation matrix, so I decided not to do it when I had a 200 MHz PII on my desk. Given the advances in CPU speed, it might be worth doing the calculation correctly for the point dipoles. --Dan -- *********************************************** J. Daniel Gezelter Assistant Professor Department of Chemistry and Biochemistry 251 Nieuwland Science Hall University of Notre Dame Notre Dame, IN 46556-5670 phone: +1 (574) 631-7595 fax: +1 (574) 631-6652 e-mail: [EMAIL PROTECTED] web: http://www.nd.edu/~gezelter ************************************************ ------------------------------------------------------- This sf.net email is sponsored by:ThinkGeek Welcome to geek heaven. http://thinkgeek.com/sf _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
