calculating force of tow groups atom to atom

LAMMPS LAMMPS Mailing List Mirror
1

Hi

I’m trying to calculate thermal properties,
I wonder if there is a command or any method to calculate forces between atoms of tow groups of atoms. for example group A has atoms 1,2,3,4 and group B has atoms 5,6,7,8 I need forces between atoms 1and5 1and6 1and7 … 4and7 4and8 in timesteps.
thanks

2

Hi

I’m trying to calculate thermal properties,
I wonder if there is a command or any method to calculate forces between atoms of tow groups of atoms. for example group A has atoms 1,2,3,4 and group B has atoms 5,6,7,8 I need forces between atoms 1and5 1and6 1and7 … 4and7 4and8 in timesteps.

https://lammps.sandia.gov/doc/compute_pair_local.html

3

thanks but it ends up with the error:

ERROR: Pair style does not support compute pair/local (…/compute_pair_local.cpp:121)

I use tersoff pair style!

4

You cannot decompose manybody potentials into pair wise additive contributions.

Axel