diff --git a/deepmd/pt/model/model/pair_tab.py b/deepmd/pt/model/model/pair_tab.py index 29fedb920c..1d83c7e818 100644 --- a/deepmd/pt/model/model/pair_tab.py +++ b/deepmd/pt/model/model/pair_tab.py @@ -141,7 +141,7 @@ def forward_atomic( return {"energy": atomic_energy} def _check_table_upper_boundary(self): - """Update User Provided Table Based on `rcut` + """Update User Provided Table Based on `rcut`. This function checks the upper boundary provided in the table against rcut. If the table upper boundary values decay to zero before rcut, padding zeros will