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Re: [h5md-user] box and observables

From: Pierre de Buyl
Subject: Re: [h5md-user] box and observables
Date: Tue, 24 Sep 2013 16:24:16 +0200
User-agent: Mutt/1.5.21 (2010-09-15)

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 :-)


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