Re: Espressomd-users Digest, Vol 117, Issue 3

On Sat, Oct 17, 2020 at 9:32 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. Re: Espressomd-users Digest, Vol 117, Issue 1
(chandra shekhar maurya)
2. Re: Espressomd-users Digest, Vol 117, Issue 1
(=?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:
<CALf1gEy6wDdV8Jj8tMVwM9hzcqSo7bPY8ACd_su7hrG6A8PaNw@mail.gmail.com" target="_blank">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):
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" 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
>
>
>
>
> ------------------------------
>
> 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
<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" target="_blank">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):
> 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" 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
>>
>> ------------------------------
>>
>> 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
************************************************

From:	chandra shekhar maurya
Subject:	Re: Espressomd-users Digest, Vol 117, Issue 3
Date:	Mon, 19 Oct 2020 11:17:18 +0530