Molecular Dynamics

July 31, Peter Sibley

Added author tags in source.

July 29, Harvey Gould

Added method getInstantanousKineticEnergy so that initial total energy is computed corectly. Made cosmetic changes in LJFluidApp.

July 12, Peter Sibley

Changed control.getDouble("Maximum for Temperature Scale") to "Maximum for Temperature axis".

July 11, Jan Tobochnik

I fixed the lennard-jones program. You forgot to add virial = 0; at the beginning of the accel method.

I'm not sure I like the long names for the variables, though it does give a better idea what they mean.

Also, on the plots the fluctuations in the data look so large. I'm not sure the y axes should be rescaled automatically. It might be more meaningful for the temperature at least to force the y axis to begin at 0.

July 10. Peter Sibley.

I think the pressure fuunction is screwed up have a look at getPressure in LJfluid.java.


Updated 29 July 2002.