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Re: [h5md-user] box and observables

From: Peter Colberg
Subject: Re: [h5md-user] box and observables
Date: Mon, 23 Sep 2013 16:09:15 -0400
User-agent: Mutt/1.5.21 (2010-09-15)

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.


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