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Re: [h5md-user] fix remaining imprecisions - particle position


From: Pierre de Buyl
Subject: Re: [h5md-user] fix remaining imprecisions - particle position
Date: Fri, 10 Jan 2014 14:51:25 +0100
User-agent: Mutt/1.5.21 (2010-09-15)

On Fri, Jan 10, 2014 at 02:17:59PM +0100, Felix Höfling wrote:
> 
> I was not aware that you're actually using the offset. I've got the
> impression from the mailing list that this piece of information is
> implementation-dependent and is typically not stored in data files.
> You may revert the respective commit if you feel that the field
> should be present.
> 
> Concerning the bounding box: it is a promise made to, e.g.,
> visualisation software to choose the initial viewport without
> scanning the whole(!) trajectory. Particles outside the box
> (violating the promise) could silently be dropped. If it turns out
> that such a bounding box is not of interest for anybody please
> remove it.
> 
> I made these changes to the repository to reflect the state of the
> discussion. Otherwise, the suggestions on the list often remain
> without feedback and fade away as time goes by. I hope that we can
> really finalise version 1.0 without further delay.
> 

Hi Felix,

Thanks for your reply. I also hope that this is over soon :-)

I hadn't the visualization issue in mind, but I am sure that visualization
software (VMD for instance) compute it on the fly when reading particles'
coordinates. I am trying to check this.

Also, the fact that it is proposed now pushes me to put into "discussion".

I am using "offset", indeed, but if it bring confusion to others I am ok to let
it go.

Best,

Pierre




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