A C++ implementation of the Reverse Monte Carlo algorithm


01.03.2023: NEW, 2023.1 VERSION OF RMC_POT IS AVAILABLE on the download page!!!


What is RMC good for?

RMC_POT is a C++ implementation of the Reverse Monte Carlo algorithm for deriving 3D structures of disordered materials from mainly diffraction data, but additional information as EXAFS data and different constraints can be used as well. It can be used in case of a wide range of materials with disordered structures as simple or molecular liquids, glasses, amorphous materials, nanoparticles…

It can work with periodic boundary condition using a cubic simulation cell, or with non-periodic boundary conditions for a spherical sample.

If you have neutron, X-ray or electron diffraction data for disordered materials and you are interested in their structure, then you can build 3-D structural models with RMC in good agreement with the experimental data.



To learn more about RMC, visit the References page.

RMC code provided here is not applicable for crystalline materials!

If you have small angle neutron scattering data (SANS), then visit the RMCSANS website.

How to use RMC_POT

The detailed description how to use the code can be found in the RMC_POT user guide.

If you want to use only basic functionalities, see page Quick start.

What's on the RMC++ web site?

At the moment, you will find


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Last modified 04/03/2023) by Orsolya Gereben
(comments welcome!)