enerzyme.models.layers.zbl#

Classes

ZBLRepulsionEnergyLayer([Bohr_in_R, ...])

Short-range repulsive potential with learnable parameters inspired by the Ziegler-Biersack-Littmark (ZBL) potential described in Ziegler, J.F., Biersack, J.P., and Littmark, U., "The stopping and range of ions in solids".