[lammps-users] Bond angle distribution

I want to calculte bond angle distribution for siica as I have its position. Previously with the help of ovito it is possible but now it not possible with ovito. Is any code available for calculating.

Thanks a lot. But I have already simulate my sample again I have to run and my sample contain more atom it need more time


There is a compute implemented in LAMMPS. Check this for documentation https://lammps.sandia.gov/doc/compute_adf.html

If you have a series of dump files from the original simulation, you
can use the rerun command with a script that has the compute adf
command, and effectively reprocess the snapshots with a new diagnostic


You can read data into LAMMPS and run only ADF analysis and you can do it for multiple snapshots from the production run for statistical averaging. Also, you can write a code to implement the ADF.

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