diff --git a/HiPRGen/species_filter.py b/HiPRGen/species_filter.py index ab0bc9f..e06fff7 100644 --- a/HiPRGen/species_filter.py +++ b/HiPRGen/species_filter.py @@ -205,7 +205,7 @@ def add_electron_species( mol_entries, mol_entries_pickle_location, electron_free_energy ): e_site = Site( - DummySpecies("E", oxidation_state=None), [0.0, 0.0, 0.0] + DummySpecies("E", oxidation_state=None, properties=None), [0.0, 0.0, 0.0] ) e_mol = Molecule.from_sites([e_site]) e_mol.set_charge_and_spin(-1, 2)