Dear Anubhav and Matminers,
I write for help with the class “site.AverageBondAngle”.
We are working on binary alloy structures AB, and be able to use that class,
with its “featurize” method and/or “SiteStatsFingerprint” featurizer, to obtain the BondAngle data.
However, when compared to the data from our code, there seems to be differences, e.g. for B1AB2 bond-angles, where B1 and B2 are identified as two nearest neighbor atoms of A.
I would appreciate if you could help with the issue and more about how the class “site.AverageBondAngle” works
(the current matminer documentation comes with a rather short description and no example for this topic?)