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Re: [h5md-user] box and observables

From: Peter Colberg
Subject: Re: [h5md-user] box and observables
Date: Fri, 20 Sep 2013 08:54:00 -0400
User-agent: Mutt/1.5.21 (2010-09-15)

On Fri, Sep 20, 2013 at 01:01:14PM +0200, Konrad Hinsen wrote:
> My understanding is that the "box" information in each subgroup under
> "particles" can be different. Otherwise, why have it in each subgroup?
> But if it can be different, then which one should be linked to
> "observables"?

That would be a new interpretation.

H5MD started with a single box group, located at /particles/box. Then
it was noted that the special box group is misplaced in /particles,
next to the subsystem groups. So box was moved and replicated to the
subsystem groups. Then the discussion about the observables group came
up, and it was replicated to observables…

This is a mess.

Why don't we just move the box to the H5MD root?


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