Dear all lammpser:
Recently I am wrestling with the question that how to calculate the free energy in LAMMPS. I noticed that it is easy to get enthalph, however, the entropy is not a clear value.
Thanks in advance,
Allen Wolfshow
2008-04-07
Dear all lammpser:
Recently I am wrestling with the question that how to calculate the free energy in LAMMPS. I noticed that it is easy to get enthalph, however, the entropy is not a clear value.
Thanks in advance,
Allen Wolfshow
2008-04-07