Atomc: Monte Carlo simulation of atomic fluids in the (T,V,N), (T,P,N), or (T,V,mu) ensemble

Last updated: 11/08/05

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Atomc simulates atomic fluids with the Metropolis Monte Carlo method, using force biased displacements, cavity-biased insertions and virial biased volume changes.

Thermodynamic integration (TI) integrands for the calculation of the excess free energy of the Lennard-Jones fluid near its triple point. The integration path was non-linear in the coupling parameter, k is the exponent used for the different calculations.

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