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Re: Cell::refSize & Cell::trsf

 

Not sure now...
If we take the unit cube as reference, will we be able to separate the real transformation and the part that is just a scaling of the cube to match the initial period size? Another reason was perhaps to avoid doing the same multiplication again and again. But this code being done only once per iteration, such optimization might be futile.
No sure answer, sorry.

Bruno

Václav Šmilauer a écrit :
Hi (Bruno), is there any good reason to have both refSize and trsf of
the periodic cell? Why not just have unit cube and always transform it
with Cell::trsf?

(Not that I'm going to change it now, but I was just thinking if there
was some reason behind, or if it is purely historical)

v


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--
_______________
Bruno Chareyre
Associate Professor
Grenoble INP
Lab. 3SR
BP 53 - 38041, Grenoble cedex 9 - France
Tél : 33 4 56 52 86 21
Fax : 33 4 76 82 70 43
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