One step backward, two steps forward...

test applet
asymetrical test
a glob of molecules ?
many globs
oil and water don't mix
ampiphiles
very soapy water

Overall Design Goal

  • provide smooth, inanimate-like, animation of complicated molecular dynamics, with user interaction.

    • Pedagagical Role

  • Help students visualize dynamics on a microscopic scale
  • Allow students to investigate how microscopic parameters affect macro(meso?)scopic behavior of systems.
  • ?? Allow students to investigate phase-transition behavior.

    • Design freatures


    done: (I think)


  • backbone of dynamics
  • allow for arbitrary pairwise interactions
  • allow for arbitrary external forces
  • allow for thermostats (they are just external forces)
  • allow for arbitrary bonds between molecules
  • allow for variable walls ( periodic bc's would be a bit more work)
  • displays consisting of multiply colored circles,lines,polygons
  • can simulate O(200) molecules
  • read in molecule data, and display data from a file
  • read in state(positions and velocity) from a file(untested)
  • read in interaction data from a file
  • read in other data from a file ( e.g. system size)
  • application which writes the appropriate information, after equilibriation
  • constrain timestep size

    • yet to be done:

  • finalize user forces
  • user interface
  • document,document,document

    • not being done but should be fairly easy

  • dynamically adding molecules
  • reinstating diplaying molecules via images

    • not being done, and probably hard

  • allowing users to select an individual molecule
  • dynamically removing molecules
  • changing the appearance of molecules after initialization