Good morning,
Is there a function to calculate the distances from anions to cation in matminer?
Hello Luis,
There is not explicitly one, but you might be able to do something like that with the PartialRadialDistributionFunction featurizer. It calculations the distances between each
atom type in your structure, but you’d have to manually postprocess to convert such information
to pairwise distances. Plus, since the PRDF makes a histogram, your distances would be approximate.
I could give you pointers on making one if you need something more specific than what I describe above.
Logan