Author Topic: Voro analysis in OVITO for non orthonormal simulation cell  (Read 814 times)

sbista

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Voro analysis in OVITO for non orthonormal simulation cell
« on: October 30, 2017, 09:56:31 PM »
Hi,
Is it possible to perform voronoi analysis in OVITO for simulation box that is not orthonormal. I wanted to compare voronoi volumes of atoms in quartz and other crystals that are not orthorhombic. I understand in voro++ if the box is not orthonormal, then voronoi calculation can not be done simply from the command line. Could you please  let me know how this can be done for non orthorhombic simulation cell?

Alexander Stukowski

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Re: Voro analysis in OVITO for non orthonormal simulation cell
« Reply #1 on: October 31, 2017, 09:09:00 AM »
Hi,

Yes, OVITO's Voronoi Analysis modifier function supports non-orthogonal periodic and partially-periodic cells. It implements a workaround for Voro++'s limitation in this regard.

-Alex