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Re: Espressomd-users Digest, Vol 117, Issue 3
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From: |
Kai Szuttor |
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Subject: |
Re: Espressomd-users Digest, Vol 117, Issue 3 |
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Date: |
Mon, 19 Oct 2020 08:51:33 +0200 |
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User-agent: |
Mutt/1.9.4 (2018-02-28) |
Please note that the visualization tool always only shows spherical particles.
Best,
Kai
On Mon, Oct 19, 2020 at 11:17:18AM +0530, chandra shekhar maurya wrote:
> Dear users,
> I used Gay-Berene interaction for ellipsoidal particles, but i am still
> getting spherical particles. As you can see in attached figures.
> Thanks & Regards
> Chandra Shekhar Maurya
> Mechanical Eng. Dept.
> Indian Institute of Technology Patna
> Contact No:9793572837
> On Sat, Oct 17, 2020 at 9:32 PM <espressomd-users-request@nongnu.org>
> wrote:
>
> Send Espressomd-users mailing list submissions to
> Â Â Â Â espressomd-users@nongnu.org
>
> To subscribe or unsubscribe via the World Wide Web, visit
> Â Â Â Â https://lists.nongnu.org/mailman/listinfo/espressomd-users
> or, via email, send a message with subject or body 'help' to
> Â Â Â Â espressomd-users-request@nongnu.org
>
> You can reach the person managing the list at
> Â Â Â Â espressomd-users-owner@nongnu.org
>
> When replying, please edit your Subject line so it is more specific
> than "Re: Contents of Espressomd-users digest..."
>
> Today's Topics:
>
> Â Â 1. Re: Espressomd-users Digest, Vol 117, Issue 1
> Â Â Â (chandra shekhar maurya)
> Â Â 2. Re: Espressomd-users Digest, Vol 117, Issue 1
> Â Â Â (=?UTF-8?Q?Jean-No=C3=ABl_Grad?=)
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Sat, 17 Oct 2020 10:44:11 +0530
> From: chandra shekhar maurya <chandra15294@gmail.com>
> To: espressomd-users@nongnu.org
> Subject: Re: Espressomd-users Digest, Vol 117, Issue 1
> Message-ID:
> Â Â Â Â
> <CALf1gEy6wDdV8Jj8tMVwM9hzcqSo7bPY8ACd_su7hrG6A8PaNw@mail.gmail.com>
> Content-Type: text/plain; charset="utf-8"
>
> 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):
> Â 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:
>
> > Send Espressomd-users mailing list submissions to
> >Â Â Â Â Â espressomd-users@nongnu.org
> >
> > To subscribe or unsubscribe via the World Wide Web, visit
> >Â Â Â Â
> Â https://lists.nongnu.org/mailman/listinfo/espressomd-users
> > or, via email, send a message with subject or body 'help' to
> >Â Â Â Â Â espressomd-users-request@nongnu.org
> >
> > You can reach the person managing the list at
> >Â Â Â Â Â espressomd-users-owner@nongnu.org
> >
> > When replying, please edit your Subject line so it is more specific
> > than "Re: Contents of Espressomd-users digest..."
> >
> >
> > Today's Topics:
> >
> >Â Â 1. Regarding dealing with non-spherical particles in Ferrofluid
> >Â Â Â Â - Part I (chandra shekhar maurya)
> >Â Â 2. Re: Regarding dealing with non-spherical particles in
> >Â Â Â Â 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,
> >Â Â Â Â Â espressomd-users-owner@nongnu.org,Â
> espressomd-users@nongnu.org
> > Subject: Regarding dealing with non-spherical particles in Ferrofluid
> >Â Â Â Â Â - Part I
> > Message-ID:
> >Â Â Â Â Â <
> > CALf1gEwsVKt4AtCbqeDe0V2iN710x8aKZ_1+a8Gufw3wha8GvQ@mail.gmail.com>
> > Content-Type: text/plain; charset="utf-8"
> >
> > Dear users,
> >Â 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
> > -------------- next part --------------
> > An HTML attachment was scrubbed...
> > URL: <
> >
>
> https://lists.nongnu.org/archive/html/espressomd-users/attachments/20201013/d4cd6fa4/attachment.html
> > >
> >
> > ------------------------------
> >
> > 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
> >Â Â Â Â Â 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:
> > >Â 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
> >
> >
> >
> >
> > ------------------------------
> >
> > Subject: Digest Footer
> >
> > _______________________________________________
> > Espressomd-users mailing list
> > Espressomd-users@nongnu.org
> > https://lists.nongnu.org/mailman/listinfo/espressomd-users
> >
> >
> > ------------------------------
> >
> > End of Espressomd-users Digest, Vol 117, Issue 1
> > ************************************************
> >
> -------------- next part --------------
> An HTML attachment was scrubbed...
> URL:
>
> <https://lists.nongnu.org/archive/html/espressomd-users/attachments/20201017/4280e549/attachment.html>
>
> ------------------------------
>
> Message: 2
> Date: Sat, 17 Oct 2020 14:46:45 +0200
> From: "=?UTF-8?Q?Jean-No=C3=ABl_Grad?=" <jgrad@icp.uni-stuttgart.de>
> To: chandra shekhar maurya <chandra15294@gmail.com>
> Cc: espressomd-users@nongnu.org, Espressomd-users
> Â Â Â Â
> <espressomd-users-bounces+jgrad=icp.uni-stuttgart.de@nongnu.org>
> Subject: Re: Espressomd-users Digest, Vol 117, Issue 1
> Message-ID: <b6490cc19d143c0a41a67a93b3f7b82f@icp.uni-stuttgart.de>
> Content-Type: text/plain; charset=US-ASCII; format=flowed
>
> Dear Chandra Shekhar Maurya,
>
> Maybe the feature GAY_BERNE is missing from your myconfig.hpp file. If
> you didn't provide a custom myconfig.hpp file when compiling ESPResSo,
> then it used the default one which is missing GB.
>
> Best,
> JN
>
> On 2020-10-17 07:14, chandra shekhar maurya wrote:
> > 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):
> >Â Â 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:
> >
> >> Send Espressomd-users mailing list submissions to
> >> espressomd-users@nongnu.org
> >>
> >> To subscribe or unsubscribe via the World Wide Web, visit
> >> https://lists.nongnu.org/mailman/listinfo/espressomd-users
> >> or, via email, send a message with subject or body 'help' to
> >> espressomd-users-request@nongnu.org
> >>
> >> You can reach the person managing the list at
> >> espressomd-users-owner@nongnu.org
> >>
> >> When replying, please edit your Subject line so it is more specific
> >> than "Re: Contents of Espressomd-users digest..."
> >>
> >> 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
> >> -------------- next part --------------
> >> An HTML attachment was scrubbed...
> >> URL:
> >>
> >
>
> <https://lists.nongnu.org/archive/html/espressomd-users/attachments/20201013/d4cd6fa4/attachment.html>
> >>
> >> ------------------------------
> >>
> >> 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
> >>
> >> ------------------------------
> >>
> >> Subject: Digest Footer
> >>
> >> _______________________________________________
> >> Espressomd-users mailing list
> >> Espressomd-users@nongnu.org
> >> https://lists.nongnu.org/mailman/listinfo/espressomd-users
> >>
> >> ------------------------------
> >>
> >> End of Espressomd-users Digest, Vol 117, Issue 1
> >> ************************************************
>
> ------------------------------
>
> Subject: Digest Footer
>
> _______________________________________________
> Espressomd-users mailing list
> Espressomd-users@nongnu.org
> https://lists.nongnu.org/mailman/listinfo/espressomd-users
>
> ------------------------------
>
> End of Espressomd-users Digest, Vol 117, Issue 3
> ************************************************
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