MCMD

MCMD is a collection of programs that implement simple routines for Monte Carlo (MC) and Molecular Dynamics (MD) simulations. The purpose of this repository is to only provide pedagogic implementations of molecular simulations in Fortran, Python and C++.

Note: Currently, only the Fortran section is complete and the implementations for Python and C++ are a "work in progress".

TO DO

Following is a list of things to be done:

• Add CMake compatibility for the Fortran section
• Add compatibility to introduce other model potentials for MC/MD simulations.
• Add the Python section of this repository.
• Add the C++ section of this repository.
• Add a documentation for tutorial section for this repository.