CCES Unicamp

dCCIforLAMMPS: dynamical Clausius-Clapeyron integration using LAMMPS

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

 

Related posts

OmpCloud: Programming Cloud Clusters with OpenMP

cces cces

High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures

cces cces

Compiling and Optimizing OpenMP 4.X Programs to OpenCL and SPIR

escience