Calc quality analysis needs to be updated

[naik-aakash]

After merging this materialsproject/pymatgen#3946 PR and a newer pymatgen release, calc quality analysis needs to be updated

[JaGeo]

You are invited to prepare both PRs. I will merge them

[JaGeo]

Realated question: can you keepnthe pymatgen PR backward compatible?

[naik-aakash]

Realated question: can you keepnthe pymatgen PR backward compatible?

I notice, there was also overshadowed argument "type" in earlier implementation (now changed to fp_type), and also keeping backward compatibility is not possible and I did not think ahead when we wrote the code for DOS fingerprints and had added tanimoto arg as bool.

[naik-aakash]

You are invited to prepare both PRs. I will merge them

Yes, will do, but as mentioned, will wait for newer pymatgen release first 😃