Re: Espressomd-users Digest, Vol 117, Issue 1

[chandra shekhar maurya]

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> wrote:

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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)


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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" target="_blank">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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