[CP2K:185] Re: metadynamic

Teodoro Laino teodor... at gmail.com
Sat Jul 14 15:32:21 CEST 2007


>
This is correct:
>    IF(ABS(ekin_w-meta_env%ekin_s)> tol_ekin)THEN

This is wrong:
>  !!!          IF((-ekin_w+meta_env%ekin_s)> tol_ekin)THEN
>

I checked in the CVS and there's always been the correct statement in  
the file metadynamics.F

Can you please tell us where did you find the wrong instruction?

Teo
> I hope that my understanding is right. If I am wrong, please let me
> know.
>
> Best Regards,
> Limin
>
>
>
> >




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