def __init__( self, n_in=128, aggregation_mode="sum", n_layers=2, n_neurons=None, activation=L.shifted_softplus, property="y", isotropic=None, create_graph=False, outnet=None, cutoff_network=None, ): super(Polarizability, self).__init__( n_in=n_in, n_layers=n_layers, aggregation_mode=aggregation_mode, n_neurons=n_neurons, activation=activation, property=property, derivative=None, create_graph=create_graph, outnet=outnet, ) self.isotropic = isotropic self.nbh_agg = L.Aggregate(2) self.atom_agg = L.Aggregate(1) self.cutoff_network = cutoff_network
def __init__( self, n_in, pool_mode="sum", n_layers=2, n_neurons=None, activation=L.shifted_softplus, return_isotropic=False, return_contributions=False, create_graph=False, outnet=None, cutoff_network=None, ): super(Polarizability, self).__init__( n_in, 2, pool_mode, n_layers, n_neurons, activation, return_contributions, True, create_graph, None, None, None, 100, outnet, ) self.return_isotropic = return_isotropic self.nbh_agg = L.Aggregate(2) self.atom_agg = L.Aggregate(1) self.cutoff_network = cutoff_network