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Re: [lammps-users] Axilrod-Teller Potential
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Re: [lammps-users] Axilrod-Teller Potential


From: Shane Jackson <swjackso@...114...>
Date: Thu, 16 Nov 2017 22:23:26 +0000

I need to do further testing to make sure it actually works but I *think* the Axilrod Teller potential is almost ready.  Do you have any suggestions for testing the potential? Can I submit my documentation in PDF form? 

Thanks

Shane

On Tue, Sep 19, 2017 at 7:42 AM Steve Plimpton <sjplimp@...24...> wrote:
No one (that I know of) has added that potential to LAMMPS.
If it has a 3-body form, SW is a good starting point.  Please
consider contributing your new code back to LAMMPS when you
have it working.

Steve

On Mon, Sep 18, 2017 at 11:32 AM, Shane Jackson <swjackso@...114...> wrote:
 Hello all,

I’ve been looking around and haven’t been able to find an Axilrod Teller pair potential for LAMMPS. If anyone knows of one that’d be great otherwise I’ll continue on developing my own.  Before I head too far down the rabbit hole, I’ve started with the SW potential as a base - is there a better starting point?

Thanks

Shane
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