fix(cc): use insert_or_assign instead of insert (deepmodeling#4844)

dict.insert will not replace old value of the key value while lammps
reallocate will keep old value in old address. This may cause dict
always use the initial value of some keys.

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

* **Bug Fixes**
* Improved handling of communication settings to ensure that updates to
existing entries are correctly applied, preventing potential issues with
outdated or duplicate information during tensor communication.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->

Author: CaRoLZhangxy

source/api_cc/src/DeepPotPT.cc

@@ -197,12 +197,12 @@ void DeepPotPT::compute(ENERGYVTYPE& ener,
           std::accumulate(lmp_list.sendnum, lmp_list.sendnum + nswap, 0);
       torch::Tensor sendlist_tensor =
           torch::from_blob(lmp_list.sendlist, {total_send}, int32_option);
-      comm_dict.insert("send_list", sendlist_tensor);
-      comm_dict.insert("send_proc", sendproc_tensor);
-      comm_dict.insert("recv_proc", recvproc_tensor);
-      comm_dict.insert("send_num", sendnum_tensor);
-      comm_dict.insert("recv_num", recvnum_tensor);
-      comm_dict.insert("communicator", communicator_tensor);
+      comm_dict.insert_or_assign("send_list", sendlist_tensor);
+      comm_dict.insert_or_assign("send_proc", sendproc_tensor);
+      comm_dict.insert_or_assign("recv_proc", recvproc_tensor);
+      comm_dict.insert_or_assign("send_num", sendnum_tensor);
+      comm_dict.insert_or_assign("recv_num", recvnum_tensor);
+      comm_dict.insert_or_assign("communicator", communicator_tensor);
     }
     if (lmp_list.mapping) {
       std::vector<std::int64_t> mapping(nall_real);

source/api_cc/src/DeepSpinPT.cc

@@ -205,13 +205,13 @@ void DeepSpinPT::compute(ENERGYVTYPE& ener,
       torch::Tensor sendlist_tensor =
           torch::from_blob(lmp_list.sendlist, {total_send}, int32_option);
       torch::Tensor has_spin = torch::tensor({1}, int32_option);
-      comm_dict.insert("send_list", sendlist_tensor);
-      comm_dict.insert("send_proc", sendproc_tensor);
-      comm_dict.insert("recv_proc", recvproc_tensor);
-      comm_dict.insert("send_num", sendnum_tensor);
-      comm_dict.insert("recv_num", recvnum_tensor);
-      comm_dict.insert("communicator", communicator_tensor);
-      comm_dict.insert("has_spin", has_spin);
+      comm_dict.insert_or_assign("send_list", sendlist_tensor);
+      comm_dict.insert_or_assign("send_proc", sendproc_tensor);
+      comm_dict.insert_or_assign("recv_proc", recvproc_tensor);
+      comm_dict.insert_or_assign("send_num", sendnum_tensor);
+      comm_dict.insert_or_assign("recv_num", recvnum_tensor);
+      comm_dict.insert_or_assign("communicator", communicator_tensor);
+      comm_dict.insert_or_assign("has_spin", has_spin);
     }
   }
   at::Tensor firstneigh = createNlistTensor2(nlist_data.jlist);