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Re: [lammps-users] Massless atom with charge
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Re: [lammps-users] Massless atom with charge

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 10 Jul 2017 09:47:25 -0400

On Mon, Jul 10, 2017 at 9:12 AM, surendra jain <jainsk.iitkgp@...24...> wrote:
> Dear All,
>   I am trying to do Nitrogen diffusion in carbon models. The nitrogen
> has point particlces (with 2 nitrogen atoms and a massless third
> particle). All the three particles carry charges.
> Is it possible to add massless particle in LAMMPS data file.

not exactly. LAMMPS does not allow this because you cannot time
integrate particles without mass.

the only case, where this would be meaningful, is when your nitrogen
molecules are treated as rigid objects, and then you can easily work
around this limitation, by assigning a very very small mass (say,


> Best Regards,
> Surendra
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Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.