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Re: [lammps-users] Read in Angular Momentum in .lj file
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Re: [lammps-users] Read in Angular Momentum in .lj file


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 17 Oct 2017 19:33:14 -0400

On Tue, Oct 17, 2017 at 5:57 PM, Carter Rhea <crhea@...7157...> wrote:
> Hello,
>  Is it possible to specify the angular momentum in the input file? I see
> there is a section for the Velocities, but nothing is mentioned regarding
> the angular momentum.

please see the documentation for the "set" command. it can set lots of
different properties including the per-particle angular momentum.

>
> Also,
> I see that if I use a restart file that the data regarding any pair_style
> commands used in the previous input file will be read in. Does that mean
> that they are applied? i.e. if I read in a restart file, are the previous
> potentials automatically applied?

you have to check out the documentation of the individual pair styles
in question. each has a section explaining whether a pair style does
support a full restart or not. that said, thanks to the magic of c++,
you can switch or overwrite/re-initialize pair styles any time in the
input (with or without restart) by simply issuing a new pair_style
command and the corresponding pair_coeff commands.

> I ask because I want to change the potential each time I read in a restart
> file.

yes, that is possible.

axel.

>
> --
> Thank you,
>  Carter Rhea
> College of Charleston
>
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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.