[CP2K:1038] Re: input coordinates & charges

[Csilla Varnai]

Thanks very much! Great. That sounds really useful.

If I would like to run CP2K via the f77_interface, how should I  
compile CP2K as a library?
Regards,

Csilla

On 13 May 2008, at 14:20, Teodoro Laino wrote:

> Anyway if you succeeded to build the topology (with the internal  
> topology creator) at least
> once, you can always dump a PSF (see section DUMP_PSF) and use the  
> PSF for the whole set
> of other calculations..
>
> Teo
>
> On 13 May 2008, at 15:14, Fawzi Mohamed wrote:
>
>> Any of these solutions let you calculate the topology just once (so
>> maybe even the internal topology builder can cope with it), and then
>> change coordinates and get updated energy/forces.
>
>
> >

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