BMB potential in Cp2K

Matt W MattWa... at gmail.com
Wed Oct 1 15:35:10 UTC 2014


Exponential / r^-6 potential is called Williams in CP2K might do what you 
want.

CP2K_INPUT <http://manual.cp2k.org/trunk/CP2K_INPUT.html> / FORCE_EVAL 
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html> / MM 
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM.html> / FORCEFIELD 
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD.html> / 
NONBONDED 
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED.html>
 / WILLIAMS 
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/WILLIAMS.html>

What is the history with the Williams (shows ignorance)??

Matt

On Wednesday, October 1, 2014 10:38:27 AM UTC+1, Getachew Gizaw wrote:
>
>
>  Hi all,
> I am quit beginner for cp2k and Classical MD world. Does 
> Born–Meyer–Buckingham (BMB) potential implemented in cp2k? I can't find the 
> key word for BMB potential in the manual. 
>
> Any help? Thanks a lot for your help!
>
>
> /Getachew
>  
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