Is there a paper about StructureMatcher?

pymatgen
1

Hi everyone,

I am using StructureMatcher for my work, and need to give a deep explanation about how it works.
Is there a paper that goes through the algorithm and explain how it works? I have not found anything on the official website.

2

Hey @Roeeasher there unfortunately and surprisingly is not. There’s a decent explanation of the method in this paper and its supplemental info, but the authors of that paper are not authors of the method used in pymatgen (nor the code)

For citing the method itself, you can follow the guidance in that paper and cite the location of it in the pymatgen code

3

Thanks for the answer!
I appreciate your help