# NOTE: This script can be modified for different pair styles # See in.elastic for more info. reset_timestep 0 # Choose potential pair_style sw pair_coeff * * Si.sw Si # Setup neighbor style neighbor 1.0 nsq neigh_modify once no every 1 delay 0 check yes # Setup MD timestep ${timestep} fix 4 all nve if "${thermostat} == 1" then & "fix 5 all langevin ${temp} ${temp} ${tdamp} ${seed}"