Open
Description
The idea is that I need a particular plane (i.e. [1, 1, 1]
) to be exposed along a plane, say [0, 0, 1]
. So the API should be something like
si_lattice = diamond_lattice.populate(compound_dict={'A' : si},
x=5, y=5, z=5,
algin_this=[1, 1, 1],
align_to=[0, 0, 1])
and produce for me a system that has a smooth, continuous [1, 1, 1]
face pointing in the z direction. We discussed a few ways to do this but haven't decided on which is best.
-
Populating out a large crystal, rotating it to align vectors appropriately, and carving things back into a rectangular system.
- Probably doable but neither elegant nor simple
-
Manipulating the
mb.Lattice
object before populating- May not be possible, or at least feasible, for arbitrary lattices
-
Populating out a large crystal and then "wrapping" it into alignment with the desired plane and its normal plane
- Also may not be possible, or at least feasible, for arbitrary lattices