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Re: [lammps-users] Shifted periodic boundary conditions
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Re: [lammps-users] Shifted periodic boundary conditions

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 18 Dec 2017 14:32:20 -0500

On Mon, Dec 18, 2017 at 2:19 PM, Emir Kocer <emirkocer92@...92......> wrote:

I am trying to use shifted periodic boundary conditions in LAMMPS by following the recipe of Weingarten et al. (attached it) but I got an error message which states this is an illegal boundary command. I am using the latest version. Is there anyone else having the same problem ? In the documentation they clearly claim that this feature is added in LAMMPS.

please note, that ​there ​is a big difference between having a feature implemented in LAMMPS and having that feature contributed back into the publicly distributed version of LAMMPS. there are a gazillion of hacks and features for LAMMPS that are not in the version of LAMMPS that you can download from the sandia webpage or through the official github repository. 
the canonical source to tell you whether a feature is available, is the bundled LAMMPS documentation. no feature is accepted into the LAMMPS distribution without adding documentation for it.
so if LAMMPS produces an error message and the feature is not documented, it is not available except directly from the author.
if the feature is documented, but you have an input that is conforming to it, then this is a bug in LAMMPS and you should provide a minimal input reproducing this bug.




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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.