[Octopus-devel] arbitrary box shapes

[Miguel Marques]

  Hello all,

  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
implemented any.

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...

  cheers,
  m.