[h5md-user] Offset

[Olaf Lenz]

Hi!

2014/1/8 Felix Höfling <address@hidden>

Am 08.01.2014, 15:58 Uhr, schrieb Olaf Lenz <address@hidden>:

Finally, I am still wondering about the meaning of the `offset` field,
given that we give no guarantees on the limits of the positions. What could
anybody do with this value?

 

Would it make sense to add a "skin depth" to the box which states how much
the positions may deviate at most from the primary box? Then also the
offset field would make sense again.

I do not see how the skin makes the offset more useful.

If we want to give any guarantees regarding the limits of the positions, then we could simply add vectors for the bounding box (e.g. min_position and max_position). These would then be independent of the box vectors, and voilà, no need for the offset anymore.

Olaf

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Dr. rer. nat. Olaf Lenz

Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart

Phone: +49-711-685-63607