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Q: Partial Radial Density Function (PRDF) for Heteroatoms

Saha_1994The issue is that I am not sure what the right approach is when calculating the Partial Radial Distribution Function (PRDF). I mean, when you try to compare the results from ASE for water molecules with the reported values of experiment. You see this, Then, I compare it with the total RDF of wat...

python atomic-simulation-environment atomistic-simulation radial-distribution-function

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