fix: add fparam, aparam temp index parse

Author: anyangml

dpdata/deepmd/mixed.py

@@ -27,6 +27,8 @@ def to_system_data(folder, type_map=None, labels=True):
         all_real_atom_types_concat = index_map[all_real_atom_types_concat]
     all_cells_concat = data["cells"]
     all_coords_concat = data["coords"]
+    all_fparam_concat = data.get("fparam", None)
+    all_aparam_concat = data.get("aparam", None)
     if labels:
         all_eners_concat = data.get("energies")
         all_forces_concat = data.get("forces")
@@ -56,6 +58,12 @@ def to_system_data(folder, type_map=None, labels=True):
         all_cells_concat = all_cells_concat[rest_idx]
         temp_data["coords"] = all_coords_concat[temp_idx]
         all_coords_concat = all_coords_concat[rest_idx]
+        if all_fparam_concat:
+            temp_data["fparam"] = all_fparam_concat[temp_idx]
+            all_fparam_concat = all_fparam_concat[rest_idx]
+        if all_aparam_concat:
+            temp_data["aparam"] = all_aparam_concat[temp_idx]
+            all_aparam_concat = all_aparam_concat[rest_idx]
         if labels:
             if all_eners_concat is not None and all_eners_concat.size > 0:
                 temp_data["energies"] = all_eners_concat[temp_idx]