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Re: [h5md-user] Offset
From: |
Pierre de Buyl |
Subject: |
Re: [h5md-user] Offset |
Date: |
Fri, 18 Oct 2013 10:18:26 +0200 |
User-agent: |
Mutt/1.5.21 (2010-09-15) |
On Thu, Sep 26, 2013 at 09:05:56AM +0200, Konrad Hinsen wrote:
> Pierre de Buyl writes:
>
> > Even if there is no guarantee of folding, offset still serves a purpose to
> > define the box. At the very least, as a convenience for checkpointing.
>
> Could you explain that a bit more? I see checkpointing as a program
> storing information for its own later use. I wouldn't put that into
> any standardized data format, i.e. I'd put it outside of the datasets
> and groups specified by H5MD.
Well, my box is defined by xmin,xmax (repeat for y, z).
Without the offset, you have to assume "xmin=0" or "xmin=-edges[0]/2".
So, yes, offset is part of the box to me. If we think also (for the future, I am
not suggesting anything for now) of continuum methods, there is no "obvious"
choice for xmin.
P
- Re: [h5md-user] Offset,
Pierre de Buyl <=