# NOTE: This script can be modified for different pair styles # See in.elastic for more info. # 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 minimization style min_style cg min_modify dmax ${dmax} line quadratic # Setup output thermo 1 thermo_style custom step temp pe press pxx pyy pzz pxy pxz pyz lx ly lz vol thermo_modify norm no