Examples

cavity.xm

Constraining particles with the CONSTRAIN CAVITY command

colorhsb.xm

Creating colored atom plots in postscript using HUE, SATURATION, BRIGHTNESS color model.

colorrgb.xm

Creating colored atom plots in postscript using RED, GREEN, BLUE color model.

csi.xm

Using the Tersoff C-Si potential

csipair.xm

Using auxillary pair potentials with the Tersoff C-Si potential.

cylinder.xm

Create particles within a cylindrical boundary.

econst.xm

Calculate elastic constants B and C' (which gives C11 and C12)

econst2.xm

Calculate elastic constants C44

formeam.xm

Using FORMULA option with an EAM potential model

formpair.xm

Using FORMULA option with PAIR potential model

hcp.xm

Constructing an HCP lattice.

mc.xm

Simple example using the MC command.

nanotube.xm

Generate coordinates for a carbon nanotube using PARTICLE, DUP and MOVE.

nanotube.2.xm

A more extensive example of nanotube coordinate generation using FILL and MOVE.

plot.xm     (postscript output, converted to pdf )

Create atom plots in postscript using black and white.

rdf.xm

Write an RDF table for an NiAl lattice.

relax.xm

Relaxing a lattice using CMD and QUENCH commands

screw.xm

Create a screw dislocation using the SCREW command

still.xm

Using the built-in Stillinger-Weber potential for Silicon.

stress.xm

Calculate the internal stress

surfe.xm

Calculate the surface energy for 100 surface of Ni at 0K

timestep.xm

Find optimum step size

velocity.xm

Setting linear and angular velocities with the VELOCITY command.