fix: add rcut check

deepmd_pt/model/model/pair_tab.py

@@ -46,10 +46,12 @@ def __init__(
         self.tab_info = torch.from_numpy(tab_info) 
         self.tab_data = torch.from_numpy(tab_data)
 
+        if self.tab_info[1] < rcut:
+            raise ValueError("The tabulation file does not have enough data to cover the cutoff radius.")
+
         # self.model_type = "ener"
         # self.model_version = MODEL_VERSION ## this shoud be in the parent class
 
-
         if isinstance(sel, int):
             self.sel = sel
         elif isinstance(sel, list):
@@ -114,7 +116,7 @@ def forward_atomic(
 
         atomic_energy = 0.5 * torch.sum(torch.where(nlist != -1, raw_atomic_energy, torch.zeros_like(raw_atomic_energy)) ,dim=-1)
 
-        return {"atomic_energy": atomic_energy}
+        return {"energy": atomic_energy}
 
     def _pair_tabulated_inter(self, nlist: torch.Tensor,i_type: torch.Tensor, j_type: torch.Tensor, rr: torch.Tensor) -> torch.Tensor:
         """Pairwise tabulated energy.