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Off-Lattice MC algorithm for Lennard-Jones 6-12 fluid

Prepare the initial configuration of the system with the desired density (box size and number of particles). Usually just a simple cubic lattice will work.
Loop through the particles, trying to make a MC loop

Calculate necessary averages, printout the results, etc. Go back to step 2.

Fortran code Example 5 
Here is an example of the Fortran code for the 2D Lennard-Jones fluid

© 1997 Boris Veytsman and Michael Kotelyanskii
Tue Nov 11 18:36:02 EST 1997