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Welcome to the ClassyMC wiki!

This code was developed at Argonne National Laboratory as a general purpose Molecular Monte Carlo (MMC) code. MMC is a powerful sampling technique for molecular systems that is capable of sampling equilibrium phenomena in classical molecular systems. MMC naturally compliments traditional Molecular Dynamics (MD) simulations in that one can bias the system to sample steady state properties that occur far too slow for current MD algorithms to sample while at the same time retaining the correct statistical properties.

The goal of this code is to create a code that makes it easy for the user to integrate their own MC moves and computational techniques so that the user could take full advantage of the wide library of stochastic sampling algorithms that the greater scientific community has created over time.

This code is open source and may be used freely so long as any published work that makes use of this code gives a proper citation.

Note: This wiki and the code itself are still under construction.

Topics:

1. Script Interface and how to use ClassyMC
2. Commands
3. Code Base and how to expand ClassyMC's functionality