diff --git a/source/train/Data.py b/source/train/Data.py index 149c76bbe8..b38839a546 100644 --- a/source/train/Data.py +++ b/source/train/Data.py @@ -476,7 +476,7 @@ def load_energy(self, # ignore energy_file if coeff_atom_ener == 1: ener = np.sum(atom_ener, axis = 1) - coeff_atom_ener = 1 + coeff_ener = 1 # load energy_file else: coeff_ener, ener = self.load_data(set_name, energy_file, [nframes], False)