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Re: [lammps-users] directly set atom coordinates within python script
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Re: [lammps-users] directly set atom coordinates within python script


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 8 Sep 2017 23:58:27 -0400



On Fri, Sep 8, 2017 at 7:04 PM, Shenli Zhang <shlzhang@...584...> wrote:
Dear all,

I want to call Lammps within my python code. Is there a way to directly pass defined atoms positions in python to Lammps? 

​please see the manual:
http://lammps.sandia.gov/doc/tutorial_pylammps.html

​axel.​

 

Thank you!
Shenli 

--
Shenli Zhang

Graduate Student of Materials Science
University of California, Davis

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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.