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Re: [lammps-users] Documentation
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Re: [lammps-users] Documentation


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 9 May 2018 18:58:59 -0400

On Wed, May 9, 2018 at 9:37 AM, Dasgupta, Dwaipayan <DDasgupta@...2805...> wrote:
> Hi,
>
>
>
> In the documentation for Beck potential, the example pair_coeff is listed as
> (http://lammps.sandia.gov/doc/pair_beck.html):
>
> pair_coeff * * 399.671876712 0.0000867636112694 0.675 4.390 0.0003746
>
> pair_coeff 1 1 399.671876712 0.0000867636112694 0.675 4.390 0.0003746 6.0
>
>
>
> All the coefficients are in eV-A unit except the second one. It should be
> 0.867636112694 in place of 0.0000867636112694.

thanks for the note.
since these are examples to demonstrate the syntax, but not at all
*meant* to be meaningful in any way, it doesn't really matter, whether
they are consistent or not.

axel.

>
>
>
> Regards,
>
> DD
>
>
>
>
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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.