Hi,

I could use some help on the following problem.

I would like to calculate, only using commands like "variable" and

"compute", the translational order parameter (Allen and Tildesley, Sect. 5.7.3).

This is simple, for a single wave vector Q=2*pi/L(mx,my,mz):

variable qmin equal 2.0*3.1415926535898/lx

variable mx equal 1.0

variable my equal 0.0

variable mz equal 0.0

variable transl atom cos(v_qmin*(v_mx*x[]+v_my*y[]+v_mz*z[]))/atoms

compute re all reduce sum v_transl

How could I efficiently loop on a list of different (mx,my,mz)?

Thanks for your help,