Morse potential with coulomb's interaction

LAMMPS LAMMPS Beginners
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1

Dear all,

I hope you are doing well!

I am reading the thesis:

and I am wondering how to set the Morse potential with columbic interactions in LAMMPS like the thesis mentioned and did in Chapter 3.

Bests,
Ray

2

Please see the documentation of the pedone pair style in the LAMMPS manual and the corresponding example in the “examples” tree of the LAMMPS source code distribution.

3

Got it! Thank you!

4

Hi Dr. Akohlmey,

Thank you for your previous response! It seems there are some restrictions to use this potential. It seems a new potential and is published in April 2024 if I do not understand wrong, and a lot of versions of LAMMPS could not regonize it. Also it needs EXTRA-PAIR package. Could you provide me some information on how to solve these problems? In my understanding now, I have to re-install a very new version of LAMMPS with EXTRA-PAIR package. Is there any convenient way to solve it?

Thank you for your help, have a great day!
Ray

5

I didn’t see a problem here. There are many ways to get a suitable version of LAMMPS

6

Thanks, let me try more!