[CP2K-user] [CP2K:13451] Re: Displaying restart file

[Hasan Al-Mahayni]

Hi,

I see, thank you. Does this mean that ASE will continue from where it left
off always? Like if the job terminates in the middle of the script, will it
continue from there?

On Thu, Jun 4, 2020 at 1:44 AM Fabian Ducry <fabia... at gmail.com> wrote:

> Are you running just an ENERGY_FORCE calculation with CP2K and perform the
> optimization/MD in ASE? CP2K does not print a restart file for ENERGY_FORCE
> calculations, because there is no change in the coordinates. ASE should
> have all the information to restart the simulation.
>
> Fabian
>
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