Author Topic: Trying to find Certain types of structure in the cell  (Read 29 times)

Nirmal

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Trying to find Certain types of structure in the cell
« on: October 03, 2018, 11:47:58 PM »
I have a lammps dump movie file of argon bombardment of orthocarborane Icosahedral structure. I am trying to check after bombardment how many icosahedra are broken and how many are intact. I was recommended doing voronoi analysis. Is there any way in OVITO to calculate number of certain types of structure in the simulation cell.

Thanks in advance.

Constanze Kalcher

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Re: Trying to find Certain types of structure in the cell
« Reply #1 on: October 04, 2018, 01:27:34 PM »
Hi Nirmal,

what you're asking for is actually available as an example script in the manual, so you should give a try:
http://ovito.org/manual/python/introduction/examples.html.

-Constanze