xnn.common.models.les.periodic_structures# xnn.common.models.les.periodic_structures(cell, pbc, num_graphs, device)[source]# Which structures of a batch are periodic, (B,) bool. A structure is periodic when its cell is nonzero and, if pbc is given, any of its flags is set; a molecular batch (cell None) has none. Parameters: cell (Tensor | None) pbc (Tensor | None) num_graphs (int) device (device) Return type: Tensor
