dCCIforLAMMPS: dynamical Clausius-Clapeyron integration using LAMMPS

by cces ccesOutubro 21, 2022Outubro 21, 2022

This repository contains a set of source codes and input scripts that allows to perform nonequilibrium free-energy calculations of phase-boundaries of atomistic systems using LAMMPS molecular dynamics software.

https://github.com/samuelcajahuaringa/dCCIforLAMMPS

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