joe-jordan / pyvoro

2D and 3D Voronoi tessellations: a python entry point for the voro++ library
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non-orthogonal periodic container #22

Closed SiyuChen closed 9 months ago

SiyuChen commented 1 year ago

On the voro++ website, it says it supports three-dimensional non-orthogonal periodic domains, which I think has been implemented in https://math.lbl.gov/voro++/doc/refman/classvoro_1_1container__periodic.html.

However, in pyvoro, it seems we can only define orthogonal periodic domains, as shown in the example:

pyvoro.compute_voronoi(
  [[1.0, 2.0, 3.0], [4.0, 5.5, 6.0]], # point positions
  [[0.0, 10.0], [0.0, 10.0], [0.0, 10.0]], # limits
  2.0, # block size
  radii=[1.3, 1.4] # particle radii -- optional, and keyword-compatible arg.
)

Could someone update the python wrapper to make it able to compute the Voronoi diagram over non-orthogonal periodic domains? Many thanks