I am simulating a very simple system with bunch of atoms connected with bonds, angles and impropers torsions.
For pairwise interaction, I am using LJ 12-6 and simple coulombic interactions.
I want to use a hard-sphere potential for certain group of atoms (just for volume exclusion principle, no attraction).
I couldn't even find any pair wise potential having only repulsive part of LJ.
is writing a hard-sphere potential function in c++ the only solution ? and if it is, how do I combine this code into lammps.
Thanks in advance,