fix bug in setting sel_type of pt model

Author: ChiahsinChu

deepmd/pt/model/atomic_model/dp_atomic_model.py

@@ -64,6 +64,7 @@ def __init__(
         self.rcut = self.descriptor.get_rcut()
         self.sel = self.descriptor.get_sel()
         self.fitting_net = fitting
+        self.fitting_net.reinit_exclude(self.atom_exclude_types)
         super().init_out_stat()
         self.enable_eval_descriptor_hook = False
         self.enable_eval_fitting_last_layer_hook = False

source/tests/pt/model/test_get_model.py

@@ -60,6 +60,9 @@ def test_model_attr(self) -> None:
                 ]
             },
         )
+        full_type_list = np.arange(len(atomic_model.type_map), dtype=int)
+        atom_exclude_types = np.setdiff1d(full_type_list, self.model.get_sel_type())
+        self.assertEqual(atom_exclude_types, [1])
         self.assertEqual(atomic_model.atom_exclude_types, [1])
         self.assertEqual(atomic_model.pair_exclude_types, [[1, 2]])