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Re: [h5md-user] box and observables
From: |
Konrad Hinsen |
Subject: |
Re: [h5md-user] box and observables |
Date: |
Tue, 24 Sep 2013 18:13:06 +0200 |
Peter Colberg writes:
> I must say that I am beginning to side with Pierre on this one, who
> sees “premature complexification” of the observables group.
I am beginning to believe that we are already at a complexity level
that's way too high for my brain ;-)
In the following, I limit myself to the "particles" group, which is
where my immediate needs are. Even that part is far from clear to me.
> Let’s consider the implementation for a second. Whether box is
> replicated to multiple locations or not, a writer would probably
> implement a single function that appends the box information at the
> current time to the box group, which is invoked by particle and
> observables modules that rely on the box information.
What about a writer that writes two different subsystems at different
sampling intervals? With a single box group, that requires a lot of
coordination.
Next, the reader: if there is a single box group but differently
sampled positions for different subsystems, reading the box
information is a lot of work and slow.
So looking at this purely from the point of view of writing and
reading positions, a box group per subsystem is highly desirable.
Konrad.
--
---------------------------------------------------------------------
Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: research AT khinsen DOT fastmail DOT net
http://dirac.cnrs-orleans.fr/~hinsen/
ORCID: http://orcid.org/0000-0003-0330-9428
Twitter: @khinsen
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- Re: [h5md-user] box and observables, (continued)
- Re: [h5md-user] box and observables, Peter Colberg, 2013/09/19
- Re: [h5md-user] box and observables, Konrad Hinsen, 2013/09/20
- Re: [h5md-user] box and observables, Peter Colberg, 2013/09/20
- Re: [h5md-user] box and observables, Konrad Hinsen, 2013/09/23
- Re: [h5md-user] box and observables, Felix Höfling, 2013/09/23
- Re: [h5md-user] box and observables, Konrad Hinsen, 2013/09/23
- Re: [h5md-user] box and observables, Felix Höfling, 2013/09/23
- Re: [h5md-user] box and observables, Peter Colberg, 2013/09/23
- Re: [h5md-user] box and observables, Felix Höfling, 2013/09/24
- Re: [h5md-user] box and observables, Peter Colberg, 2013/09/24
- Re: [h5md-user] box and observables,
Konrad Hinsen <=
- Re: [h5md-user] box and observables, Peter Colberg, 2013/09/24
- Re: [h5md-user] box and observables, Peter Colberg, 2013/09/24
- Re: [h5md-user] box and observables, Felix Höfling, 2013/09/25
- Re: [h5md-user] box and observables, Felix Höfling, 2013/09/25
- Re: [h5md-user] box and observables, Konrad Hinsen, 2013/09/25
- Re: [h5md-user] box and observables, Felix Höfling, 2013/09/25
- Re: [h5md-user] box and observables, Konrad Hinsen, 2013/09/25
- Re: [h5md-user] box and observables, Peter Colberg, 2013/09/25
- Re: [h5md-user] box and observables, Felix Höfling, 2013/09/25
- Re: [h5md-user] box and observables, Peter Colberg, 2013/09/25