If the subvolume is a box (or parallelepiped in general), you could
weight the contribution rather easily by length of the interaction that
is inside that volume; i.e. interactions fully inside would have w=1,
one that would be 1/3 of its length inside would have w=1/3 and such. If
you want to compute the stress tensor in multiple adjacent subvolumes at
the same time, it would be quite efficient, i.e. splitting the periodic
cell in a regular grid of subvolumes, then just finding which subvolume
it belongs to.
Hope I understood what you are after.
v.
Method2 (easier) : define a group of spheres and compute weighted
average stress using per-body stresses (bodyStressTensors in
utils). You'll have to define the total volume of the subdomain
though, which is a bit more tricky than with method 1.
I think that defining the subvolume will not be a problem. But what
happens if the branch vector of the interaction crosses the subdomain?
Can this be an issues?
Chiara
Cheers.
Bruno
On 09/02/11 12:03, Chiara Modenese wrote:
Hi,
I would like to compute the average stress tensor into subdomains
of periodic cell. Any hint how to do that and where to add it (is
Shop the best place?)?
Thanks, Chiara
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