Gibbs MC codes for binary LJ fluids

 

This is a sample set of programs for the Gibbs Monte Carlo method (Panagiotopoulos, Molec. Phys. vol. 61, pp 813-826 1987; Panagiotopoulos et al., Molec. Phys. vol 63, pp. 527-545, 1988). The main program is gibbsv.f, and requires the input files indata and lrcorr to operate. Note that for the specific data file given here, the run is too short to give equilibrated results. Results of the program are given in the file results. I have tried to include a few comments in the results file that do not appear during normal execution of\ the program. Since the program was not originally written with general distribution in mind, it may be quite difficult to decifer, and the output is not commented.

A.Z. Panagiotopoulos