A Julia package for calculating a radial distribution function (or pair correlation function) g(r)
.
The pair correlation function g(r)
may be defined as the probability density
of finding a particle a distance r
away from another particle, divided by
the probability density for the same event in a noninteracting system.
Add BoffinStuff registry in package manager, and proceed installation:
pkg> registry add https://github.com/wildart/BoffinStuff.git
pkg> add PairDistribution
Given a collection of frames with particles coordinates as 3D tensor, e.g. F
,
and a volume dimensions, e.g. box
.
julia> size(F)
(1000, 4, 302)
julia> box
3-element Vector{Float32}:
34.3141
34.3141
34.3141
julia> # calculate g(r) with 100 bins histogram and distances in [0.0,8.0] range.
julia> using PairDistribution
julia> gr, rs = rdf1d(F, box, 100; minmax=[(0.0,8.0)]);
julia> # plot g(r) function
julia> using Plots
julia> plot(rs[1], gr, leg=:none, xlab="r", ylab="g(r)", size=(800,600))