[lammps-users] (no subject) (H.Q. Lu)

Hi HQ Lu,
the vol in thermo style command is just the volume of the simulation box. When you use the periodic boundary, it might change during the simulation depending on the ensemble you choose.

I think it is not easy to calculate the volume of a group of atoms, since it is difficulty to define the geometry of the atoms in that group in a particular simulation.

hopy this helps,