How can I see pressure (no knetic term) of fix box/relax command if fix ID is “relax” to check the convergence of it?
It seems that it (Pxx) is not f_relax_press[1] or c_relax_press[1].
Best regards,
Luke
How can I see pressure (no knetic term) of fix box/relax command if fix ID is “relax” to check the convergence of it?
It seems that it (Pxx) is not f_relax_press[1] or c_relax_press[1].
Best regards,
Luke
The ID for the pressure compute (no kinetic term) that fix
box/relax creates is fix-ID_press. So unless the
ID is "relax", the syntax you have below for c_relax_press is
wrong. The fix box/relax doc page explains this.
Steve
2010/10/14 JhonY. I. <[email protected]...>: