diff --git a/t3/utils/writer.py b/t3/utils/writer.py index c5e6573c..f8e2a75e 100644 --- a/t3/utils/writer.py +++ b/t3/utils/writer.py @@ -249,6 +249,7 @@ def write_rmg_input_file(rmg: dict, pdep['method'] = METHOD_MAP[pdep['method']] pdep['T_min'], pdep['T_max'], pdep['T_count'] = pdep['T'] pdep['P_min'], pdep['P_max'], pdep['P_count'] = pdep['P'] + pdep['T_count'], pdep['P_count'] = int(pdep['T_count']), int(pdep['P_count']) del pdep['T'] del pdep['P'] if pdep['interpolation'] == 'PDepArrhenius':