[CP2K:41] Re: metadynamic

[lmliu]

Hi Teo,

Great.
Another thing is that when metadynamics is crashed, not stopped by itself,
sometime it can not continue to run using PROJECT-1.restart. The reason is
that the  NHILLS_START_VAL  and the number of '&SPAWNED_HILLS_POS' are
different. When I meet such situation, i change the NHILLS_START_VAL. Is
there any way to avoid such things?

thanks!
Limin



> Thanks!
> the bug has been fixed...
>
> teo
> On 4 May 2007, at 18:52, lml... at gmail.com wrote:
>
> >
> >
> > Teo fixed a main bug of metadynamic part. There is another error. The
> > hills should be printed each NT_HILLS, but it prints each step in
> > PROJECT-HILLS.metadynLog at present.
> >
> >
> > >
>
>
> >
>
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