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

张炎炎 yanya... at gmail.com
Wed Jun 9 09:22:23 UTC 2021


OK

Thank you very much. 

在2021年6月9日星期三 UTC+8 下午5:00:34<mat... at gmail.com> 写道:

> 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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