[Pw_forum] vc-md_NOT-STOP

[Ranber Thakur]

It was, in fact, very simple. I have fixed it. I add few more options in
vcsmd.f90.
It is now ok.


On Thu, Jul 26, 2012 at 9:22 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On Jul 26, 2012, at 9:39 , Ranber Thakur wrote:
>
> > VC-md calculations does not stop after nstep. It keep running
> > forever. What does this mean? Is there some strange bug?
>
> sort of. More exactly: nobody has ever cared about this.
> It will likely be fixed whenever a long-overdue cleanup of
> the molecular dynamics code will be done
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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