From 45731250c0124d927684387c0b33e814b6975ede Mon Sep 17 00:00:00 2001
From: Pao <paotorres89@gmail.com>
Date: Mon, 8 Apr 2024 21:53:20 -0300
Subject: [PATCH] adapted setup_df with new columns

---
 pyMBE.py | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/pyMBE.py b/pyMBE.py
index 2855f23..719155f 100644
--- a/pyMBE.py
+++ b/pyMBE.py
@@ -2784,7 +2784,11 @@ def setup_df (self):
                 '': object},
             'model': {
                 '': str},
-            'diameter': {
+            'sigma': {
+                '': object},
+            'cutoff': {
+                '': object},
+            'offset': {
                 '': object},
             'epsilon': {
                 '': object},