potential.mod
17c17ac40996lammm-devel

potential.mod
View Options

			# 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