Hi there,
I was wondering if there’s a way to find out on which steps the neighbor lists are built, given, say, the following command:
neighbor 0.2 bin
neigh_modify every 1000 delay 0 check yes
Since the lists are built not only on every 1000 steps but also when some atom has moved half the skin depth.
Thank you very much.
Hi there,
I was wondering if there's a way to find out on which steps the neighbor
lists are built, given, say, the following command:
neighbor 0.2 bin
neigh_modify every 1000 delay 0 check yes
Since the lists are built not only on every 1000 steps but also when some
atom has moved half the skin depth.
you could write a custom fix provides a ::pre_neighbor() method.
this should only be called before a neighborlist rebuild.
cheers,
axel.
Those settings don't do what you say. Every 1000
means the neigh list will only possibly be built
every 1000 steps (which is way too long). And the
check yes means it will decide on that step (1000 steps
later) based on the skin trigger. See the neigh
modify doc page for a more careful explanation.
If you're asking to know after the fact, which timesteps
the neighboring occurred on, you would need to record
that yourself with a new fix. Why do you need to know
that information? I normally think of that as an internal
decision that the simulation/user doesn't care about.
Steve