diff --git a/source/api_cc/src/DeepPotPT.cc b/source/api_cc/src/DeepPotPT.cc
index 780a8007f3..ce104b0f8e 100644
--- a/source/api_cc/src/DeepPotPT.cc
+++ b/source/api_cc/src/DeepPotPT.cc
@@ -203,6 +203,15 @@ void DeepPotPT::compute(ENERGYVTYPE& ener,
       comm_dict.insert("recv_num", recvnum_tensor);
       comm_dict.insert("communicator", communicator_tensor);
     }
+    if (lmp_list.mapping) {
+      std::vector<std::int64_t> mapping(nall_real);
+      for (size_t ii = 0; ii < nall_real; ii++) {
+        mapping[ii] = lmp_list.mapping[fwd_map[ii]];
+      }
+      mapping_tensor =
+          torch::from_blob(mapping.data(), {1, nall_real}, int_option)
+              .to(device);
+    }
   }
   at::Tensor firstneigh = createNlistTensor(nlist_data.jlist);
   firstneigh_tensor = firstneigh.to(torch::kInt64).to(device);