[CP2K:550] Print out the constraint force

Teodoro Laino teodor... at gmail.com
Thu Jan 10 00:39:36 UTC 2008


Hi Minghsun,

to get the value of the lagrange multipliers:

http://cp2k.berlios.de/input/ 
InputReference~__ROOT__~MOTION~CONSTRAINT~LAGRANGE_MULTIPLIERS.html

Cheers
teo

On 10 Jan 2008, at 01:27, Ming Ho wrote:

>
> Hi everyone,
>
> I am running cp2k with constraining one single bond in my system. I
> check the cp2k input manual but I am still not sure how to print out
> the constraint force. Can someone tell me how to activate this
> function? Thanks.
>
> Best regards,
> Minghsun
> >




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