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[ESPResSo-users] Restricting interactions to nearest neighbors
From: |
Memet, Edvin |
Subject: |
[ESPResSo-users] Restricting interactions to nearest neighbors |
Date: |
Wed, 19 Sep 2018 05:00:44 +0000 |
User-agent: |
Mozilla/5.0 (X11; Linux x86_64; rv:52.0) Gecko/20100101 Thunderbird/52.5.0 |
Dear all,
Could anyone point me in the right direction for how to restrict, say, a
LJ interaction to act only between nearest neighbors? I've seen there is
an 'exclusion' feature, which allows you to specify a neighborhood in
which the interaction doesn't occur, but I see no analogous feature for
what I'm looking for. [By the way, I'm (still) using tcl-Espresso ...]
I've also noticed there is a nbhood routine which returns a list of
particles inside a certain radius, but unfortunately it does not return
an ordered list (sorted by distance). So perhaps, possible helpful
answers could indicate how to modify the nbhood routing to return an
ordered list, or other ways to access the nearest neighbor in the source
code.
Best,
Edvin
- [ESPResSo-users] Restricting interactions to nearest neighbors,
Memet, Edvin <=