One step backward, two steps forward...
a glob of molecules ?
oil and water don't mix
very soapy water
Overall Design Goal
provide smooth, inanimate-like, animation of complicated molecular
dynamics, with user interaction.
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.
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,
constrain timestep size
yet to be done:
finalize user forces
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