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README

The README file for this repository.

MC

Monte Carlo simulation package for canonical ensemble

Available ensembles: NVT, NPT, mVT (grand caonical), RVT (reactive canonical), RPT (reactive isobaric)

Reference:

D. Frenkel, B. Smit Understanding molecular simulation : from algorithms to applications (Academic Press, 1996)

J. K. Johnson, A. Z. Panagiotopoulos, K. E. Gubbins 1994 Mol. Phys.

A. Brodka 2002 Chem. Phys. Lett.

I. Yeh, M. L. Berkowitz 1999 J. Chem. Phys.