merge #1662 to devel (#1669)

#1662 was wrongly merged into master.

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

## Summary by CodeRabbit

- **New Features**
- Enhanced input generation for LAMMPS to accommodate electron
temperature settings.
- Added a new parameter, `use_ele_temp`, for improved flexibility in
input handling.

- **Bug Fixes**
- Ensured correct retrieval and passing of the `use_ele_temp` value
during model deviation tasks.

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

dpgen/generator/run.py

@@ -1061,7 +1061,9 @@ def find_only_one_key(lmp_lines, key):
     return found[0]
 
 
-def revise_lmp_input_model(lmp_lines, task_model_list, trj_freq, deepmd_version="1"):
+def revise_lmp_input_model(
+    lmp_lines, task_model_list, trj_freq, deepmd_version="1", use_ele_temp=0
+):
     idx = find_only_one_key(lmp_lines, ["pair_style", "deepmd"])
     graph_list = " ".join(task_model_list)
     if Version(deepmd_version) < Version("1"):
@@ -1070,13 +1072,22 @@ def revise_lmp_input_model(lmp_lines, task_model_list, trj_freq, deepmd_version=
             trj_freq,
         )
     else:
-        lmp_lines[idx] = (
-            "pair_style      deepmd %s out_freq %d out_file model_devi.out\n"
-            % (
-                graph_list,
-                trj_freq,
+        if use_ele_temp == 0:
+            lmp_lines[idx] = (
+                "pair_style      deepmd %s out_freq %d out_file model_devi.out\n"
+                % (
+                    graph_list,
+                    trj_freq,
+                )
+            )
+        elif use_ele_temp == 1:
+            lmp_lines[idx] = (
+                "pair_style      deepmd %s out_freq %d out_file model_devi.out fparam ${ELE_TEMP}\n"
+                % (
+                    graph_list,
+                    trj_freq,
+                )
             )
-        )
     return lmp_lines
 
 
@@ -1340,6 +1351,8 @@ def _make_model_devi_revmat(iter_index, jdata, mdata, conf_systems):
     sys_idx = expand_idx(cur_job["sys_idx"])
     if len(sys_idx) != len(list(set(sys_idx))):
         raise RuntimeError("system index should be uniq")
+
+    use_ele_temp = jdata.get("use_ele_temp", 0)
     mass_map = jdata["mass_map"]
     use_plm = jdata.get("model_devi_plumed", False)
     use_plm_path = jdata.get("model_devi_plumed_path", False)
@@ -1446,6 +1459,7 @@ def _make_model_devi_revmat(iter_index, jdata, mdata, conf_systems):
                                 task_model_list,
                                 trj_freq,
                                 deepmd_version=deepmd_version,
+                                use_ele_temp=use_ele_temp,
                             )
                     else:
                         if len(lmp_lines[template_pair_deepmd_idx].split()) != (
@@ -1466,6 +1480,7 @@ def _make_model_devi_revmat(iter_index, jdata, mdata, conf_systems):
                                 task_model_list,
                                 trj_freq,
                                 deepmd_version=deepmd_version,
+                                use_ele_temp=use_ele_temp,
                             )
                 # use revise_lmp_input_model to raise error message if "part_style" or "deepmd" not found
                 else:
@@ -1474,6 +1489,7 @@ def _make_model_devi_revmat(iter_index, jdata, mdata, conf_systems):
                         task_model_list,
                         trj_freq,
                         deepmd_version=deepmd_version,
+                        use_ele_temp=use_ele_temp,
                     )
 
                 lmp_lines = revise_lmp_input_dump(