Hi,

How can we store the first calculated value of a compute command (in a variable) to use it later in the simulation? (and to uncompute the compute command)

For example for the following variable:

compute Vol_1 1 voronoi/atom

compute Voll_1 1 reduce sum c_Vol_1[1]

variable Vol_1 equal c_Voll_1

I used the following two separately, and get errors for both.

variable Vol_1_0 equal ${Vol_1}

{ERROR: Substitution for illegal variable}