[CP2K-user] [CP2K:17957] Spherical external potential

Aditya Goyal goyal.aditya74 at gmail.com
Sun Oct 30 10:38:44 UTC 2022


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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