[lammps-users] Directionnally calculating the radial distribution function

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1

Hi LAMMPS Users!

I’ve been looking through the forum and documentation but failing at finding what I’m looking for, but I don’t know if it would be because it can’t be done, or if it would be considered pointless.

My goal is to be able to obtain the nearest neighbor distance in different directions (in this case, the 1NN distance in x, y and z), in order to plot a figure similar to the figure 2 in this paper : http://dx.doi.org/10.1103/PhysRevLett.114.195901

However I’ve failed to find a good method of doing so, my original idea being by working from the radial distribution function, would you have any suggestions as to how I could go about this?

Thank you very much for your time and help,
Antoine.

2

I think that a) you are misinterpreting what figure 2 shows and b) this is very obviously something that requires writing a custom post-processing tool.

3

Thanks for your feedback, I’ll be checking again and start generating my custom tool then if my interpretation is alright!

Have a good day!
Antoine.