/gcmc

C++ code for Markov Chain Monte Carlo simulations in the grand canonical ensemble.

Primary LanguageC++MIT LicenseMIT

Efficient MCMC simulations in the Grand Canonical Ensemble

  • Extensible for different types for interactions (currently implements hard-sphere models)
  • Efficient updates using cell lists for tracking

References:

  • Frenkel, D. and Smit, B., Understanding Molecular Simulation