Multiple constraint types

Axel akoh... at gmail.com
Wed Sep 3 07:10:32 CEST 2008



On Sep 2, 7:14 pm, aarondesk <aaro... at gmail.com> wrote:
> On Sep 2, 2:53 pm, Laino Teodoro <teodor... at gmail.com> wrote:
>
> > anyway the answer to your question is that:
>
> > &FIXED_ATOMS
> > &END
>
> > is a repeatable section. Use more of them, defining in each, the type
> > of constraint you like.
>
> Great! I didn't know this was a repeatable section. I didn't even know
> there are repeatable sections! How can I find out which sections are
> repeatable?

you can see it in the xml version of the input reference or
the html code generated from it. i keep a copy (warning: not
always up-to-date) at.
http://www.cmm.upenn.edu/resources/cp2k_manual/cp2k_input.html

cheers,
    axel.

>
> Thank you,
> Aaron


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