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Re: [lammps-users] concatenating two systems
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Re: [lammps-users] concatenating two systems

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 19 Jul 2017 07:18:31 -0400

On Wed, Jul 19, 2017 at 6:53 AM, Neda Rafiee via lammps-users
<> wrote:
> Dear users,
> I need to read data from two data files and create a box consisting of
> atoms. I don't know hot to change atom coordinates so that they do not
> interfere with each other.I want to have one system above the other in one
> box. I thought one way could be increasing one box dimension (in z
> direction) in the first data file and then reading the next data file and
> simultaneously using the "shift" option to shift the positions of atoms. Is
> there any other way to do it?  what about the "boundary m" option? Is it
> helpful to determine flexible box dimension?

everything you ask about should be explained in the documentation for
the read_data command, or can be quickly validated by making a test
with two data files containing only a handful of atoms, where you
would do your two (or more) read_data commands and then issue a
write_data or write_dump command and inspect the resulting file (in a
text editor or through visualization) to see, if you get the desired


> Thanks,
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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.