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Re: [lammps-users] Checking/visualizing the data file before running it with LAMMPS
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Re: [lammps-users] Checking/visualizing the data file before running it with LAMMPS

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Thu, 27 Jul 2017 13:23:46 -0400

On Thu, Jul 27, 2017 at 12:43 PM, Jatin Kashyap <jk435@...6426...> wrote:
> Dear LAMMPS users,
> I’m a beginner level user of the LAMMPS software. And I’ve builded a data
> file of SiO2_Li (topology file) structure with the help of a Matlab code,
> arranging all the data in the LAMMPS acceptable data file format. And now
> I’m trying to run it, just to check the structure by generating a CFG file
> at step 0(so I can open it in OVITO), but due to some unknown reasons it’s
> generating no file at all, leaving me without any clue of the error. As of

you can use the write_dump command to write out a dump frame without a run.
you can also use write_data and compare the generated data file with
your original. for small systems, this is not too difficult.

> now, I just wanted to check the structure that I generated with my Matlab
> code. With the given circumstances, I’m not able to find whether the problem
> is with my data file or somewhere else i.e. input file etc. So my question
> is, is there any way to open the data file except with LAMMPS so that I can
> see the actual structure that I had created.

the topotools plugin included in VMD can read LAMMPS data files:


> Thanks a lot for your time, and efforts.
> —————————
> Regards,
> Jatin Kashyap
> ------------------------------------------------------------------------------
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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.