diff --git a/geometric/qcf_neb.py b/geometric/qcf_neb.py index f6315c7b..a339314e 100644 --- a/geometric/qcf_neb.py +++ b/geometric/qcf_neb.py @@ -212,6 +212,10 @@ def nextchain(info_dict): # Extracting information from the given dictionary. params, M, engine, result, iteration = get_basic_info(info_dict) + + if iteration == 0: + return prepare(info_dict) + params_prev, M_prev, engine_prev, result_prev, _ = get_basic_info( info_dict, previous=True )