Can I update the neighbor list intentionally at the specific step during the process in addition to the update performance conforming to the setting of “neighbor keyword”?
For instsance, in the addition to the normal undate process following the condition described in “neighbor keyword”, can I update the neighbor list manually at 1300 step?
Thank you for your reply in advance.
Best
Young
Can I update the neighbor list intentionally at the specific step during
the process in addition to the update performance conforming to the setting
of "neighbor keyword"?
For instsance, in the addition to the normal undate process following the
condition described in "neighbor keyword", can I update the neighbor list
manually at 1300 step?
one way to trigger a neighborlist update on a specific time step is to set
it up so that a restart is written on this step, as writing restarts
trigger a forced neighbor list update.
also, with neigh_modify check no, you turn off the dynamic neighbor list
update triggers and have an update after every 'delay' steps. if 1300 is
divisible by 'delay', you'll have your update.
axel.