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Exercises

  1. You want to demonstrate to a class firing an atom at a minimised body centred cube with side length 4. You don't want to have to worry about setting it all up using the GTK controller, when you run the program you just want a minimised structure to appear with an atom firing at it. Write a new controller that will do this.
  2. Implement a class that will inherit from MDTemplate that combines a Lennard-Jones potential with an electrostatic class. You will need a new cube creation method that will add positive and negative charges to the atoms, and put them in a sensible configuration, such as the sodium chloride configuration.



James Roper 2004-02-12