From f636925c58c6e4b076da0a2b122dc6cf6a26ff00 Mon Sep 17 00:00:00 2001 From: Jackson Burns Date: Thu, 27 Jun 2024 14:40:12 -0400 Subject: [PATCH] remove debugging print --- fastlogfileparser/gaussian/utils/postprocessing.py | 1 - 1 file changed, 1 deletion(-) diff --git a/fastlogfileparser/gaussian/utils/postprocessing.py b/fastlogfileparser/gaussian/utils/postprocessing.py index 15ef972..658cd92 100644 --- a/fastlogfileparser/gaussian/utils/postprocessing.py +++ b/fastlogfileparser/gaussian/utils/postprocessing.py @@ -22,7 +22,6 @@ def _fortran_float_to_float(in_list): def _hl_gap(in_list): """Calculates HOMO-LUMO gap from the HOMO and LUMO energies""" - print(in_list) return float(in_list[-1][1]) - float(in_list[-1][0])