question about behavior of averaging in fix_ave/time command

Hello – a question concerning some knobs associated with the fix_ave/time command:

I use the following simple input script to describe my question:

A format I didn’t expect – in particular, I would expect the timestep = 0 to be supressed.

Why? It can accurately compute the average you are requesting on the current step (which is 0), so it does.
In the comments for nextvalid(), it says:

can be this timestep if multiple of nfreq and nrepeat = 1

which is the case.

I think you will get the same behavior for any values of nevery
and nfreq, so long as nrepeat = 1.


Steve –

Ok – I see the intent. Just kludging a workaround for some multiscale FEM-MD coupling. Thanks,