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Re: [lammps-users] Buckingham Potential
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Re: [lammps-users] Buckingham Potential


From: Steve Plimpton <sjplimp@...24...>
Date: Tue, 15 May 2018 08:16:10 -0600

Please put the input script lines and the error message in your mail post.

Steve

On Tue, May 15, 2018 at 2:58 AM, Axel Kohlmeyer <akohlmey@...24...> wrote:


On Tue, May 15, 2018 at 4:17 AM, Afza Shahid via lammps-users <lammps-users@...396...sourceforge.net> wrote:
Dear LAMMPS users

I'm using this command:

pair_style buck 20
pair_coeff * * 2442.60 0.3054 17.51

cut off= 20A
A= 2442.60 A
rho= 0.3054 eV
C= 17.51 eV A^6

but there is an error saying that these parameters are out of bound. Can anybody help me with this problem. Whats wrong with this command.

​nothing. ​

 

Regards 
Afza Shahid

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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.

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