Sphere positions sorted

JF's picture
Submitted by JF on Tue, 11/16/2010 - 11:35

Hi Christoph,

In the class atom, the sphere positions are sorted, it exists the array j = tag[i] to indicate at the line i you will have the sphere number j. I did not find, if it exists an array such as : i = invtag[j].

This array invtag[] is important in my case, because I load the interactions pair (Si, Sj) and I have noticed that the values of x[Si] do not correspond to the S1 poistion loaded via my file *.sys.

Please, can you help me to find this array (invtag) or desactivate the sorting only when I want to load the interactions file.

Regards
JF

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ckloss's picture

ckloss | Tue, 11/16/2010 - 12:53

Hi JF,

if I understand correctly your interaction list is based on tags (which is a good idea).

>>desactivate the sorting
you can do this with "atom_modify 0 0", but that will not make you happy in parallel because as particles get migrated local particles indices loose their meaning in the context of such a list

>>Please, can you help me to find this array (invtag)
atom->map does what you want

Cheers,
Christoph