LCBOP potential

Accidentally no copy to the list, so here it is:

------ Wiadomość oryginalna ------
Temat: Re: [lammps-users] LCBOP potential
Nadawca: Dominik Wójt <[email protected]...>
Adresat: Steve Plimpton <[email protected]>

W dniu 22.05.2012 17:13, Steve Plimpton pisze:

Just added this as a 23May12 patch. Are there other potential
files available for elements/materials beyond C?

Thanks for coding this up, Steve

On Sun, May 20, 2012 at 2:56 PM, Dominik Wójt <[email protected]...>
wrote: Hello.

I implemented LCBOP potential as in paper by J. H. Los and A.
Fasolino, Phys. Rev. B 68, 024107 (2003). Implementation is based
on pair_airebo.

Now I would like to contribute the source back. I attach all the

I also attach a Makefile for a standard Debian installation.

Regards, Dominik Wójt


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Thank you. This potential is designed only for carbon. It is not based
on Pettifor's BOP. It is based on Brenner's REBO just like AIREBO, but
with a little different approach to inclusion of long-range
interaction. (some people laugh when I say "long-range" referring to 6
Angstroms :wink:


Dominik Wójt