[lammps-users] [Help] optimize supercell

Hi,

Is their any command to optimize box length (with PBC along three directions)? That is to say, the box length can be changed during optimization.

As far as I know, NPH or NPT command can do this, but it is bother to obtain equilibrium state. What I needed is to use command like minimize conveniently.

Thanks!

The latest patches have already incorporated a
new command ‘fix box/relax’. You can try it.
http://lammps.sandia.gov/doc/fix_box_relax.html

L. Wan

2009/4/1 Jervis Chu <[email protected]…1193…>