Dipole Model

The dipole model requires the same dictionary as input as the potential model. The only difference is the model_params that can be set. They are listed below along with their default values.

Parameter	Default	Description
max_dipole	False	When set to a number, exclude dipoles above this value in loss function
d_scale	1	Dipole unit during training
use_d_per_atom	False	Use the per-atom dipole in place of total dipole in loss function
log_d_per_atom	True	Log the per-atom dipole error, automatically enabled with use_d_per_atoms=True
use_d_weight	False	Scale the energy loss according to the 'd_weight' Tensor in the dataset
use_l2	False	Include L2 regularization in loss
d_loss_multiplier	1	Weight of dipole loss
l2_loss_multiplier	1	Weight of l2