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How to find path of interstitial when they are in cluster

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prash:
Dear all,

I'm new to ovito, I have to find MSD for interstitial cluster.
The problem I have is in some time frame my interstitial are not together (means cluster). So is it possible some how from ovito to neglect frames where interstitial are not in cluster and only export the coordinates of SIA's when they are in cluster (or close together)

Any help would be greatly appreciated

Thank you in advance

Constanze Kalcher:
Dear prash,

that sounds like it could be achieved by using the Cluster analysis modifier in conjunction with a user defined function in a python script modifier.

-Constanze

prash:
Thanks for the reply,
I tried to use cluster modifier but I didn't have any idea how to procede.
With python script modifier.

thank you

Constanze Kalcher:
Dear prash,

without seeing (at least an example of) your simulation data it's very difficult for me to help you. That also goes for the other topic you opened on this board. If you like, you can upload an example of your trajectory, then I and other users can look into it your problem.

-Constanze

prash:
I'm attaching here some of my example dump data frame for 2 interstitial.
In this i tried to use cluster modifier.
Now I need some idea how to proceed .
I'm thinking to select the frame when cluster analysis modifier found 1 cluster.
Then using this frame for further calculation of finding displacemnet vector and msd.

Thank you

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