HRMC_2.0: Hybrid Reverse Monte Carlo method with silicon, carbon and germanium potentials

The Hybrid Reverse Monte Carlo (HRMC) code models the atomic structure of materials via the use of a combination of constraints including experimental diffraction data and an empirical energy potential. In this version update, germanium potential parameters are introduced and constraints based on the coordination, average coordination and the total bond angle distribution are implemented. Other additional changes include a constraint on three member ring formation, a constraint on porosity and an extension to handle systems with up to three different elements.

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