hi,

@Aidan (1)

so you say, that if I am defining interactions between 2 atom_types LAMMPS adds

the potentials, if there is more than one potential for the e.g. 1-1 (Si-Si) interaction? I thougt that LAMMPS works in an overwriting way.

Everything you say seems correct. However, in addition, there will

also be Si-Si and Ar-Ar contributions from the ZBL pair style, so the

ZBL interaction is being included twice for these pairs. I don't know

of a way to prevent this. Maybe we need to change how ZBL is

specified, so that cross pairs can be activated without activating

pure pairs.##############################################################################

@Aidan (2)

I have started 169 Calculations(for different impact points of the projectile) with the ‘neigh_modify exclude 1 1’-command, but elapsed cpu-time and looking at at few movies tells me ,that now all Si-Si-interactions are turned off. Si-crystall is not a good crystall beacuse all the Si-atoms have to begin of the simulation potential energy equal to zero.