Author Topic: How to calculate the RDF of only one atoms with Ovito coding.  (Read 77 times)

Qriver

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Hi Alex and every Ovito users,

I just want to calculate the RDF of every BCC atoms in my system, how to do it with Ovito coding.
For example, I have 30 BCC atoms, I want to calculate the RDF of every BCC atom, Then I can get 30 RDF.

Thanks!

SG
« Last Edit: May 15, 2018, 09:33:40 PM by Qriver »

Alexander Stukowski

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Re: How to calculate the RDF of only one atoms with Ovito coding.
« Reply #1 on: May 18, 2018, 11:57:56 AM »
Dear SG,

The RDF is a statistical distribution and not something that can be calculated for individual atoms. So please clarify how you mean that. For a given BCC atom, would you like to compute the distances to all its neighbours within a certain cutoff range?

-Alex

Qriver

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Re: How to calculate the RDF of only one atoms with Ovito coding.
« Reply #2 on: May 18, 2018, 03:23:03 PM »
Hi Alex,

Yes, I know how to do it now. With the cutoff radius and the neighbor atoms, I can get the RDF.
Thanks

SG