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lanl / hippynn

python library for atomistic machine learning
https://lanl.github.io/hippynn/
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Lammps null fix #48

Closed bnebgen-LANL closed 8 months ago

bnebgen-LANL commented 8 months ago

Update lammps interface to support NULL atoms and systems with no pairs.

bnebgen-LANL commented 8 months ago

Correlated update in Lammps has merged: https://github.com/lammps/lammps/pull/3954