hello , how to compute the volume of the system or the group atoms,

and the default vol in the thermo_style command is just the volume of

the global simulation box, isn't it. when i use the periodic boundary

the volume is the same ,isn't it.

thanks

Thermo vol is the volume of the entire box. The volume

of a group of atoms isn't well defined and LAMMPS doesn't

currently attempt to calculate it. If you can figure out a

precise definition of what you want, you could write a compute

to do it.

Steve

2009/4/22 H.Q. Lu <[email protected]>: