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Re: subdomains

 

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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-- _______________
    Bruno Chareyre
    Associate Professor
    ENSE³ - Grenoble INP
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