[Octopus-devel] arbitrary box shapes
marques at teor.fis.uc.pt
Thu Dec 22 18:36:30 WET 2005
Just to tell you that, as I was feeling bored, I implemented the
arbitrary box shapes in octopus. A typical input is:
BoxShape = user_defined
Rad = 5.0
BoxShapeUsDef = "x^2+y^2 <= Rad^2 + 0.000001"
Spacing = 0.5
Lsize = 25
The Lsize should be the size of a box that contains the simulation box.
Maybe there should be some checks on this number, but I haven't
I will not commit the code now, but I will wait until we go out of
freezing mode. In any case, if any of you wants to try to run a
elliptical quantum billiard, let me know that I send you the code...
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