In the pair style lj_pair_smooth, I’m having trouble figuring out if cut[i][j]
holds the global cutoff between particles or if it just refers to the position of the particle at a given time. It appears to be used in both capacities at different
times. Which is it?
-Avik Mondal
It’s a setting that does not change.
Steve
In the pair style lj_pair_smooth, I'm having trouble figuring out if
cut[i][j]
holds the global cutoff between particles or if it just refers to the
position of the particle at a given time. It appears to be used in both
capacities at different
times. Which is it?
i don't quite understand your statement. it would be easier to explain, if
you would provide example highlighting what you mean.
the cut array contains (as well at cut_inner) the cutoff between pairs of
types of atoms. it defaults to the global setting, but can be overridden on
a per pair of types basis. just like for any LJ pair style.
axel.