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
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.
List of other programs
Back to the Mezei Lab home page