[CP2K-user] If does cp2k have the keyword that can add new atoms to the system ?

Matt Watkins mattwa... at gmail.com
Wed Jun 9 09:00:34 UTC 2021


Not that I am aware of.
I think the best way of doing that would be to use a python wrapper, like 
ASE, and use that to launch runs adjusted as you wish.
Matt

On Wednesday, June 9, 2021 at 8:40:13 AM UTC+1 ya... at gmail.com wrote:

> Dear all 
>
> I want to simulate that the atoms deposit on the surface,  If does cp2k 
> have the keyword that can add new atoms to the system when the simulation 
> is going, just like LAMMPS's  keyword(deposition) ?
>
> Thanks in advance and regards,
>
> Yanyan
>
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