[CP2K:5743] Re: BMB potential in Cp2K

[Getachew Gizaw]

Hi Matt,
Thanks a lot!

On 10/1/14, Matt W <MattWa... at gmail.com> wrote:
> 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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