HYPERVOLUME MONTE-CARLO METHOD AT CONSTANT-PRESSURE

The Hypervolume Monte Carlo (HVMC) method recently proposed by Fernand es and Ramalho (Comput. Phys. Commun. 90 (1995) 73) to perform microca nonical simulations, sampling the configurational and momenta spaces, has been extended to the isoenthalpic-isobaric ensemble. Thermal and s tructural properties as well as the speed distribution functions of th e Lennard-Jones system, obtained from Andersen's isoenthalpic-isobaric molecular dynamics method, are compared with the results from the pro posed HVMC method at constant pressure. The agreement is excellent. Th e statistical-mechanical roots of the isoenthalpic-isobaric HVMC metho d are also presented.