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Hybrid Reverse Monte Carlo (HRMC)
A program for generating atomistic models in real space by a combination of empirical potential energy minimization and the fitting of experimentally motivated constraints. Suitable inputs include experimental data such as diffraction data (structure factor and radial distribution functions) and computational data (bond angle, bond length, coordin... moreation distributions). Output is a model in Cartesian coordinates in xyz format that can be visualized in standard visualization packages. A manual and tutorial are provided. less
Condensed Matter Physics not elsewhere classified
Simulation and Modelling
01 Jan 2002
23 Aug 2017
Hybrid Reverse Monte Carlo
The original presentation of the HRMC methodology was published in Mol. Sim. in 2002 . A first version of the code, HRMC 1.0, was published in Comp. Phys. Comm. in 2008 and HRMC 2.0 in 2013 and finally HRMC 2.1 in 2014.
CSIRO Open Source Software Licence (Based on MIT/BSD Open Source Licence)
Opletal, George (2017): Hybrid Reverse Monte Carlo (HRMC). v1. CSIRO. Software Collection.
All Rights (including copyright) CSIRO 2017.
The metadata and files (if any) are available to the public.
MMM Research & Applications
Molecular modellings software development and maintenance
Software produced by the DATA61 Molecular and Materials Modelling Team