xnn.gnn.models.aimnet2.COULOMB_METHODS#
- xnn.gnn.models.aimnet2.COULOMB_METHODS = ('simple', 'dsf', 'ewald', 'pme', None)#
the all-pairs sum of molecules, the damped shifted-force truncation, the Ewald and particle-mesh Ewald sums of periodic cells, or none.
- Type:
Electrostatics options