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Re: [h5md-user] Offset
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From: |
Konrad Hinsen |
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Subject: |
Re: [h5md-user] Offset |
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Date: |
Sat, 19 Oct 2013 09:37:31 +0200 |
Pierre de Buyl writes:
> Well, my box is defined by xmin,xmax (repeat for y, z).
That makes sense if you also say that every coordinate must be "in the
box", i.e. between xmin and xmax.
Otherwise, all you know about your system is its periodicity,
described completely by the edge length.
Konrad.
--
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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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