[CP2K:1324] Multiple constraint types

Laino Teodoro teodor... at gmail.com
Tue Sep 2 21:53:25 UTC 2008


On 2 Sep 2008, at 23:29, aarondesk wrote:

> I would like to constrain multiple atoms with multiple constraint
> types. For instance, one atoms frozen in xyz coordinates, while
> another atom frozen in x coordinates. The manual doesn't seem to
> indicate how to do this.
which manual??

if you talk about the input reference.. well.. that one is not a  
it's just a list of keywords with some minimal/basic explanation.
anyway the answer to your question is that:


is a repeatable section. Use more of them, defining in each, the type  
of constraint you like.

> Is this possible?
> Thank you,
> Aaron
> >

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