[Pw_forum] vc-md_NOT-STOP

Paolo Giannozzi giannozz at democritos.it
Thu Jul 26 17:52:20 CEST 2012


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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