PV_AVA and PV_NUM and stress tensor for FIST

Rad rad.... at arl.army.mil
Mon Dec 17 14:24:31 CET 2007


Oh yes, I do require stress tensor in non-md calculations. Presently I
am doing an MD to calculate the tensor. Please keep us posted when the
change happens.

Thanks
Rad

On Dec 14, 11:11 am, Teodoro Laino <teodor... at gmail.com> wrote:
> Just a correction to my previous message:
>
> > the keyword STRESS_TENSOR in the &MD section.
>
> the keyword STRESS_TENSOR has been moved to the FORCE_EVAL section  
> and is not any longer into the MD section.
> This will make possible in the future to access the stress tensor  
> also for non MD run (who knows?).
> In case you use multiple force_evals remember to specify this keyword  
> for each force_eval. In case not, you
> will anyway receive an error message remembering to do that.
>
> Ciao and sorry again,
> Teo


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