Author Topic: exporting atomic coordinates to lammps  (Read 2652 times)

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Offline Zexter

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exporting atomic coordinates to lammps
« on: January 18, 2011, 05:58 »
Dear all
        Is there any possible ways to export atomic coordinates created in ATK exported to lammps?If so what's the procedure to do so?

Offline Anders Blom

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Re: exporting atomic coordinates to lammps
« Reply #1 on: January 18, 2011, 11:48 »
It's really fairly simple, as long as you know the format you want, all you need to do is loop over the coordinates and "print" them in the appropriate way. I don't know exactly how LAMMPS expects the coordinates, but a very simple way to export anything from ATK is to "nlprint" a configuration, then you get a XYZ file.