Is it possible to realize "horizontal" shifted LJ potential in LAMMPS?

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1

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

2

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.

image1.PNG

3

Dear Stefan,

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

Best regards,
zjgbz

image1.PNG