Home
Reading
Searching
Subscribe
Sponsors
Statistics
Posting
Contact
Spam
Lists
Links
About
Hosting
Filtering
Features Download
Marketing
Archives
FAQ
Blog
 
Gmane

From: Olaf Lenz <olenz-bON/T8rgFJAL63KmMnjC+CEWGD4kr0XT <at> public.gmane.org>
Subject: Re: Make "time" optional?
Newsgroups: gmane.science.simulation.h5md.user
Date: Friday 11th July 2014 15:51:54 UTC (over 4 years ago)
...and adding to that, can we also make the "step" optional? Weird as this
may sound, we would also have to invent step numbers.

Olaf

Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
Phone: +49.711.685.63607
Am 11.07.2014 16:09 schrieb "Konrad Hinsen"
:

> Hi everyone,
>
> Now that I have started to use H5MD seriously, I also start to notice
> problems with it. One of them is the obligatory presence of a "time"
> dataset. I want to store a Monte-Carlo trajectory which consists of a
> sequence of configurations, but without any associated time values.
> If I want to respect the H5MD specification, I have to make up
> numbers, which is not a good habit to take.
>
> Is there any reason why "time" was made obligatory?
>
> 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
> ---------------------------------------------------------------------
>
>
 
CD: 14ms