Dear users,
During using Gay-Berne interactio, i am geting bellow error. Please
suggetme , how can i correct i?
Box size 88.6226925452758
Traceback (most recent call last):
File "test.py", line 51, in <module>
system.non_bonded_inter[0,0].gay_berne.set_params(eps=lj_eps,sig=lj_sig,cutoff=lj_cut,
k1=k)
AttributeError: 'NoneType' object has no attribute 'set_params'
Thanks & Regards
Chandra Shekhar Maurya
Mechanical Eng. Dept.
Indian Institute of Technology Patna
Contact No:9793572837
On Tue, Oct 13, 2020 at 9:33 PM <espressomd-users-request@nongnu.org>
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Today's Topics:
1. Regarding dealing with non-spherical particles in Ferrofluid
- Part I (chandra shekhar maurya)
2. Re: Regarding dealing with non-spherical particles in
Ferrofluid - Part I (Rudolf Weeber)
----------------------------------------------------------------------
Message: 1
Date: Tue, 13 Oct 2020 19:30:12 +0530
From: chandra shekhar maurya <chandra15294@gmail.com>
To: espressomd-users-request@nongnu.org,
espressomd-users-owner@nongnu.org,
espressomd-users@nongnu.org
Subject: Regarding dealing with non-spherical particles in
Ferrofluid
- Part I
Message-ID:
<CALf1gEwsVKt4AtCbqeDe0V2iN710x8aKZ_1+a8Gufw3wha8GvQ@mail.gmail.com>
Content-Type: text/plain; charset="utf-8"
Dear users,
I am trying to do simulation for "Ferrofluid - Part I", using
non-spherical particles.
So how can I deal with non-spherical particles like ellipsoid, flake
shape.
Your help will be highly obliged.
*Thanks & Regards*
Chandra Shekhar Maurya
Mechanical Eng. Dept.
Indian Institute of Technology Patna
Contact No:9793572837
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Message: 2
Date: Tue, 13 Oct 2020 16:31:20 +0200
From: Rudolf Weeber <weeber@icp.uni-stuttgart.de>
To: chandra shekhar maurya <chandra15294@gmail.com>
Cc: espressomd-users@nongnu.org
Subject: Re: Regarding dealing with non-spherical particles in
Ferrofluid - Part I
Message-ID: <20201013143120.GA1918947@icp.uni-stuttgart.de>
Content-Type: text/plain; charset=us-ascii
Hi Chandra,
On Tue, Oct 13, 2020 at 07:30:12PM +0530, chandra shekhar maurya
wrote:
I am trying to do simulation for "Ferrofluid - Part I", using
non-spherical particles.
So how can I deal with non-spherical particles like ellipsoid,
flake shape.
Your help will be highly obliged.
For ellipsoidal particles, you can use the Gay-Berne interaction,
which is available in Espresso.
For other cases, you can make use of the raspberry model as an
approximation (using Espresso's VirtualSitesRelative feature).
See e.g., the works on magnetic cube-like particles by Kantorovich
et al.
Regards, Rudolf
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