search

lanl / hippynn

python library for atomistic machine learning
https://lanl.github.io/hippynn/
Other
59 stars 22 forks source link

CombineScreenings Module #25

Closed sakibmatin closed 1 year ago

sakibmatin commented 1 year ago

Products of multiple screenings for Screened Coulomb Interactions. E.g. Glue-on for Short-range and Wolf for long-range screenings can be combined as follows:

combined_screening = CombineScreenings(
        ( LocalDampingCosine(alpha=10.0),  WolfScreening(alpha=0.1) )
    )

The CombineScreenings operates similar to other Screening classes already implemented in Hippynn.