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Re: excpetion
From: |
Jean-Noël Grad |
Subject: |
Re: excpetion |
Date: |
Fri, 1 Nov 2019 16:14:03 +0100 |
User-agent: |
Mozilla/5.0 (X11; Linux i686; rv:60.0) Gecko/20100101 Thunderbird/60.9.0 |
Hi Marcos,
To add a bond between two particles, you need to first register the bond
parameters in the espresso system:
from espressomd.interactions import HarmonicBond
harmonic_bond = HarmonicBond(k=1, r_0=1, r_cut=5)
system.bonded_inter.add(harmonic_bond)
system.part[1].add_bond((harmonic_bond, 2))
Best regards,
JN
On 11/1/19 4:06 PM, marcos nolasco wrote:
i'm buildin a model that needs harmonic bonds between its components,
but when i run the code, expresso shows me the following sentence:
/"File "particle_data.pyx", line 1514, in
espressomd.particle_data.ParticleHandle.add_bond/
/ File "particle_data.pyx", line 1448, in
espressomd.particle_data.ParticleHandle.check_bond_or_throw_exception
Exception: The bonded interaction has not yet been added to the list of
active bonds in Espresso"/
/
/
so, i'd like to know, is this list of active bonds the same in myconfig?
how can i solve this? thanks!
- excpetion, marcos nolasco, 2019/11/01
- Re: excpetion,
Jean-Noël Grad <=