Re: [ESPResSo-users] Quadrupole interactions

[Olaf Lenz]

In principle, I guess that one could extend the dipolar P3M-algorithm for point-like dipoles to point-like quadrupoles, but I would guess that the formulas would become pretty unwieldy. No, this is not implemented in ESPResSo, and it would not be trivial.
But of course you can set up quadrupoles by setting up four bonded charges close to each other, or two dipoles.
Does this anwer your question?
Olaf
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Michael Winokur <address@hidden> schrieb:

Hi,

I notice that Espresso has code for dealing with charge dipoles.  Is there something for quadrupole moments or does that need to be added?

Michael

Michael Winokur
Dept. of Physics
University of Wisconsin