[lammps-users] potential problem

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1

Hello Lammps

I have a question about the potential of different groups of atoms. Suppose I have two groups of atoms( group A and group B).

I hope to use the potential x inside the group A, and use the potential y inside the group B. In the mean time I hope to use potential z

between the group A and group B.

How should I realize this requirement ?

Thanks!

Anderson

2

Hi Anderson,

You need to use pair_style hybrid and you can use it for as many different groups of atoms you have. The link below from the lammps documentation explains how.

http://lammps.sandia.gov/doc/pair_hybrid.html

Jaime