SuSMoST (Surface Science Modelling and Simulation Toolkit) consists of two python packages (susmost and susmost.mc), several utilities, energy calculators and of a library of adsorption complexes and models. You can downlad complete SuSMoST archive or its parts at the Downloads page.
SuSMoST Python packages contain binary modules and are distributed as binary python wheels.
susmost.mc package is optional. It contains classes and functions for Monte Carlo based simulaions methods. In particular - parallel tempering Metropolis Monte Carlo scheme and Wang-Landau algorithm are implemented for now. This package needs Open MPI to be installed on your computer.
SuSMoST utilities and energy calculators are distributed as Python scripts that are expected to be placed in subfolders
To start working with SuSMoST, you can follow these steps: