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Re: possibility of having particle with no (or minimize) interaction
From: |
Rudolf Weeber |
Subject: |
Re: possibility of having particle with no (or minimize) interaction |
Date: |
Fri, 20 May 2022 08:29:01 +0200 |
Hi Ahmad,
>
> Actually, I need the LJ repulsion to separate the particles enough (warm up).
> After warming up, I try to use exclusions function to remove the non-bonded
> interactions between the pairs but when I put system.part.exclusions in a
> loop I cannot remove all of them. It seems that the last index of the loop
> only works.
You can disable the LJ interactio afer the warmup, by setting new parameters
with espilon=0 and sigma=0.
This is preferrable over exclusions.
If you neex exclusions for some reason, then, according to the UG it should be
(for the particl p1)
for partner in system.part:
if partner.id != p1.id: pa.add_exclusion(partner) # or maybe partner.id
Regards, Rudolf