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Re: [h5md-user] boundary conditions (again)
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From: |
Peter Colberg |
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Subject: |
Re: [h5md-user] boundary conditions (again) |
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Date: |
Wed, 31 Jul 2013 12:43:15 -0400 |
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User-agent: |
Mutt/1.5.21 (2010-09-15) |
On Wed, Jul 31, 2013 at 11:08:12AM +0200, Felix Höfling wrote:
> Hence, I suggest that the boundary type "nonperiodic" is replaced
> either by the empty string or by "none" (synonym for "unspecified").
> In this case, the edge specification along this axis is not
> relevant. Even more, if all axes have "none", "edges" could be
> dropped at all ...
The choices "periodic" and "none" would be fine with me, too.
But what about the geometry attribute? So far, the choices "cuboid"
and "triclinic" mandate three dimensions, and a box with finite edges
lengths for all dimensions. We did not consider two-dimensional
systems, or infinite boundaries, where the latter is hard to classify
using a string.
Peter