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scattering

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by256
by256 commented Nov 19, 2020

Currently, rdfpy computes the number density by finding the minimum size cuboidal box that can be placed around the given particle coordinates, and dividing the number of particles by the volume of this box.

When the number of particles intersecting the bounds of this box is large, this results in an incorrect number density, causing the resulting radial distribution function to not be centred

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