On Saturday 07 June 2003 16:33, Victor Manuel "Rosas-Garc�a" wrote: > Is Jmol able to display the vector for the total dipole moment of a > molecule? I've seen the vectors in the animation of the vibrational modes, > but I haven't had any luck with the dipole moments. > > Are there any plans to add this feature?
Not at this moment, but it is very easy to add... Could you add this to the Feature Request list at our SourceForge project page? To the developers: - we already have display of vectors... - a dipole is a vector with a length reflecting the dipole moment value To Victor, there are two possibilities: 1. a (QM) program calculated the dipole, and must be read from file 2. Jmol calculates the dipole, but then it should calculate partial atomic charges, and use those (instead of the real electron distribution) to calculate the dipole and its direction... Which one did you have in mind? kind regards, Egon ------------------------------------------------------- This SF.net email is sponsored by: Etnus, makers of TotalView, The best thread debugger on the planet. Designed with thread debugging features you've never dreamed of, try TotalView 6 free at www.etnus.com. _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
