[lammps-users] the speed of tersoff potential

LAMMPS LAMMPS Mailing List Mirror
1

Dear All and Steve,

When I use tersoff's potential for Si, I found
that the speed is much slower that the simulation
of the same size with EAM, about 10 times longer that the EAM.
Is this normal or I got
something wrong with my simulation.

I use the follow to specify the potential.

pair_style tersoff
pair_coeff * * Si.tersoff Si
mass 1 28.0855

Thanks in advance.

2

Probably normal. EAM is (computed as) a pair potential;
Tersoff is a 3-body potential, hence it loops over neighbors
of neighbors.

Steve