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Re: [lammps-users] about the command "dump custom"and"dump local"
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Re: [lammps-users] about the command "dump custom"and"dump local"


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 11 Jul 2017 12:47:03 -0400

On Tue, Jul 11, 2017 at 12:41 PM, htc <619771202@...1204...> wrote:
> In my model.there are some rigid bodies and some sphere.
> i use command"compute rigid/local"to caculate the attribute(id x y z quatw
> quati quatj quatk) of the rigid body(which consist of two sphere).
> The information that i want in the output is include the attribute of the
> rigid body and the attribute of the atom.
> I can use command"dump custom" to export atom attributes,but i cannot use it
> to export the attribute of the rigid body(Only can be exproted by
> command"dump local").

you cannot output "local" properties (which are not per-atom) in a
per-atom dump.

> I just wonder how can i reach my purpose.

you have to post-process your dumped data.

axel.

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