From f03f1c30bfd2451fcb4987a6ca376f6f06c9aa38 Mon Sep 17 00:00:00 2001 From: samblau Date: Fri, 3 Nov 2023 08:07:57 -0700 Subject: [PATCH] back to old pmg, revert dummy change --- HiPRGen/species_filter.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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)