LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] msd/chunk atom id constant
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] msd/chunk atom id constant


From: "Sengupta, S." <S.Sengupta@...2493...>
Date: Sat, 11 Nov 2017 01:17:13 +0000

http://lammps.sandia.gov/doc/compute_msd_chunk.html

It's mentioned in the second note.

I also have another confusion on the same page. In the example usage, the command used is compute com/msd whereas the name of the command on the top of the page is compute msd/chunk.
Does the compute msd/chunk compute the average of msd for each atom in a chunk at regular intervals like the simple compute msd command ?

Thanks
Soumyadipta
________________________________________
From: Axel Kohlmeyer [akohlmey@...24...]
Sent: 10 November 2017 22:14
To: Sengupta, S.
Cc: lammps-users@lists.sourceforge.net
Subject: Re: [lammps-users] msd/chunk atom id constant

On Fri, Nov 10, 2017 at 1:59 PM, Sengupta, S. <S.Sengupta@...2493...<mailto:S.Sengupta@...2493...>> wrote:
Dear LAMMPS users,

On the compute msd/chunk page it is mentioned that using the ids once option in compute chunk/atom will keep the atom IDs assigned to chunks constant.
The wording in the manual is slightly confusing. It's also mentioned that LAMMPS has no simple way of ensuring that atom IDs in chunks are constant.

​please be more specific and point out the exact pages and paragraphs​ you are referring to. most likely, you are quoting out of context.

axel.



Will choosing the ids once option make the atom IDs assigned to chunk IDs constant?

Thanks
Soumyadipta
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
lammps-users mailing list
lammps-users@lists.sourceforge.net<mailto:lammps-users@lists.sourceforge.net>
https://lists.sourceforge.net/lists/listinfo/lammps-users



--
Dr. Axel Kohlmeyer  akohlmey@...24...<mailto:akohlmey@...24...>  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.