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Re: [lammps-users] incorrect data file format
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Re: [lammps-users] incorrect data file format

From: John Smith <johnson21smith@...24...>
Date: Mon, 17 Jul 2017 12:41:00 -0500

I am running the following simulation, but it seems to stop after the minimization step. I am attaching the log file and input file. 


On 17 July 2017 at 11:19, Axel Kohlmeyer <akohlmey@...24...> wrote:
On Mon, Jul 17, 2017 at 12:15 PM, John Smith <johnson21smith@...24...> wrote:
> Helo,
> When I try to run the simulation with the attached data file, it works when
> atom style is charge but doesn't work (error states that data file format is
> incorrect) when the atom style is full. Are there differences in the format
> based on atom style? I am using reaxff for this simulation.

yes. please see the read_data documentation.


> Sincerely,
> John
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Dr. Axel Kohlmeyer  akohlmey@...43...4...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

Attachment: in.solvent
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Attachment: log_solvent.lammps
Description: Binary data