TECHNIQUES I: AViz usage and color change for type or position

  1. 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.
  2. During (or after) the simulation open the AViz interactive interface, and load the datafile.
  3. Pick the object and its condition e.g. atom, drawn as a sphere at 50 percent size in final quality.
  4. 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.
  5. 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 layer mixing.