[CP2K:1441] No TARGET field in FIXED_ATOMS section

Laino Teodoro teodor... at gmail.com
Tue Oct 14 17:00:51 UTC 2008


On 14 Oct 2008, at 18:33, ilya wrote:

> slightly different positions then? By the way comment to the
> CP2K_INPUT / MOTION / CONSTRAINT / FIXED_ATOMS / RESTRAINT / K   field
> makes a reference to the TARGET: "The functional form for the
> restraint is: K*(X-TARGET)^2".

This info in the manual has been clarified as well.. (in the CVS in  
few minutes)
Thanks
Teo

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