Calculate free energy via LAMMPS?

Arash Kardani @Arash_Kardani

07 July 2018 0 10K Report

Dear all, I want to calculate free energy via LAMMPS, we knows that:

dG = -SdT + VdP + sum(mu.dN) where mu is chemical potential and

At constant pressure: dG = -SdT + sum(mu.dN)

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