HRMC is an atomistic Monte Carlo modelling code that trials atomic configurations, while fitting experimentally motivated constraints and simultaneously minimizing the energy using some empirical interatomic potentials. Ideal for recovering atomistic models consistent with both experimental data and theoretical chemistry.
All documentation is provided, with tutorial examples. This software is released under the CSIRO Open Source Software Licence (Based on MIT/BSD Open Source Licence), and can be cited using: Opletal, George (2017) Hybrid Reverse Monte Carlo (HRMC). v1. CSIRO. Software Collection. http://doi.org/10.4225/08/59dab19e0c3d8
For more information, contact the Principal Developer and Project Leader, Dr George Opletal.