Re: [h5md-user] box and observables

[Pierre de Buyl]

On Mon, Sep 23, 2013 at 04:09:15PM -0400, Peter Colberg wrote:
> On Mon, Sep 23, 2013 at 09:47:54AM +0200, Konrad Hinsen wrote:
> > H5MD doesn't even guarantee that step numbers are monotonically
> > increasing, so finding the box step for a given position step could
> > at worst require reading the complete box time series.
> 
> That is a serious omission from the specification; certainly the
> "step" and "time" datasets are monotonically ordered. This allows for
> a binary search to efficiently lookup "value" indices.

Indeed. I always considered it mandatory and the fact that it was not present
(it is now, thanks Peter) scares me :-)

P