- During the simulation write a datafile with a letter to
indicate the type of each atom and its x, y and z coordinates
at each timestep.
- During (or after) the simulation open the AViz interactive interface, and load the datafile.
- Pick the object and its condition e.g. atom, drawn as a sphere at 50 percent size in final quality.
- If the color criterion is type each atomic species gets a different color - e.g. for the
superconductor image Y, O etc are assigned different colors via the interactive interface, at right. The final image has a different color assigned to each species and bonds drawn between nearest neighbours at specified distances.
- If all atoms are of the same type, letters could be assigned according to initial atomic position, so that it will be easy to identify subsequent