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Re: [lammps-users] Is it possible to realize "horizontal" shifted LJ potential in LAMMPS?
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Re: [lammps-users] Is it possible to realize "horizontal" shifted LJ potential in LAMMPS?


From: Wusheng Zhang <minky.k.jiang@...24...>
Date: Thu, 27 Jul 2017 15:25:32 +0000

Dear Stefan,

Thank you very much! I will learn to use it.

Best regards,
zjgbz

On Thu, Jul 27, 2017 at 23:22 Stefan Paquay <stefanpaquay@...1125.....> wrote:
Yes, there is: http://lammps.sandia.gov/doc/pair_lj_expand.html
Thechnically it won't be infinity for r < R0, but your if your dynamics are good particles will never reach r < R0.

On Thu, Jul 27, 2017 at 11:06 AM, Jiang Minzhi <minky.k.jiang@...24...> wrote:
Dear LAMMPS users,

I am trying to realize a "horizontal" shifted LJ potential. In LAMMPS, I just find pair modify yes, which can shift the LJ potential vertically - along y axis. What I want is shown below,
image1.PNG
Is there any built-in pair style which can realize this potential?

BTW, what is the name of this potential? I just find "R-shifted LJ potential" in the paper but cannot find anything useful by Google with this name.

Best regards,
zjgbz


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