[CP2K-user] [CP2K:17958] Re: Spherical external potential

[Marcella Iannuzzi]

These parameters define the strength and shape of the potential.
Just plot the function to figure out if it is what is needed for the system 
under study
Regarda
Marcella

On Sunday, October 30, 2022 at 11:38:44 AM UTC+1 goyal.a... at gmail.com wrote:

> Dear Cp2k users
> I'm trying to create a spherical external potential to restrict the 
> excessive motion of molecules during  Meta Dynamics simulation. An example 
> provided on Cp2k website  
> https://www.cp2k.org/exercises:2015_cecam_tutorial:mtd1  includes: 
>
> [image: extpot.png]
>
> My query is : Why 0.000000000001 is multiplied to the potential in each 
> direction and why each potential is raised to the power 4 . 
>
> Regards
>
> Aditya
>
>

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