You are on page 1of 1

# NOTE: This script can be modified for different pair styles

# See in.elastic for more info.

# Choose potential
pair_style eam/alloy
pair_coeff * * Al99.eam.alloy Al

# 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

You might also like