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[h5md-user] boundary conditions (again)


From: Felix Höfling
Subject: [h5md-user] boundary conditions (again)
Date: Wed, 31 Jul 2013 11:08:12 +0200
User-agent: Opera Mail/12.15 (Linux)

Hi,

The minimal Python examples written by Pierre
https://github.com/pdebuyl/pyh5md
revealed a possible issue with the box specification:

For a (e.g., 1D) random walker, there is no boundary and thus no box. Merely the origin of the walk could be identified as the box origin.

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 ...

What would be the impact of a missing box on visualisation tools?

NB: actually, it would be more correct to speak of the boundary condition of the box _faces_ instead of axes or directions. On the other hand, to opposite faces will most likely have the same type of BC.

Felix



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