Polynomial angular descriptors in aenet and n2p2 potentials can be evaluated exactly from one-neighbor Cartesian moments, removing the quadratic pair loop and accelerating trained models without retraining.
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AccelNet: Exact backward-compatible acceleration of polynomial angular descriptors through Cartesian moment factorization
Polynomial angular descriptors in aenet and n2p2 potentials can be evaluated exactly from one-neighbor Cartesian moments, removing the quadratic pair loop and accelerating trained models without retraining.