enerzyme.models.layers.electrostatics.AtomicCharge2DipoleLayer#

class enerzyme.models.layers.electrostatics.AtomicCharge2DipoleLayer[source]#

Bases: BaseFFLayer

__init__() None[source]#
get_M2(Qa: Tensor, Ra: Tensor, batch_seg: Tensor | None = None) Tensor[source]#