Re: hard sphere simulation

From: Jim Phillips (
Date: Mon Sep 22 2003 - 14:38:11 CDT

I'd suggest modeling it as a very stiff "soft" interaction.

If you want a single sphere, substantially larger than an atom and located
at a fixed location then you can probably adapt the spherical harmonic
boundary conditions code (src/ComputeSphericalBC.[Ch]) to implement
whatever hard-core potential (like (r-r_0)^(-12)) you want.

Otherwise, you'll need to be a little more specific in what you want.


On Sat, 20 Sep 2003, Amit Paliwal wrote:

> Hi All,
> What is the best way to incorporate a hard sphere in a simulation?
> thanks,
> Amit.

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