Hi all!

Is there any particular difference between these two commands? I need to find the average potential energy of a group of atoms and I came across these two commands.

Thanks!

Hi all!

Is there any particular difference between these two commands? I need to find the average potential energy of a group of atoms and I came across these two commands.

Thanks!

Hi all!

Is there any particular difference between these two commands?

there is not "fix reduce". i assume you mean compute reduce.

well, one does a temporal per-atom averaging, the other does reductions

(sum, average, min, max) over a group.

i'd say, that is quite a difference.

axel.