From f2ead7138b2a0ba2e4847297eec38baed4b5c9cd Mon Sep 17 00:00:00 2001
From: Abdallah Ammar <abd.ammar.phys@gmail.com>
Date: Tue, 29 Oct 2024 23:43:33 +0100
Subject: [PATCH] read mol geom from working dir

---
 PyDuck.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/PyDuck.py b/PyDuck.py
index a8e9033..1154f19 100644
--- a/PyDuck.py
+++ b/PyDuck.py
@@ -37,7 +37,7 @@ print_2e=args.print_2e
 working_dir=args.working_dir
 
 #Read molecule
-f = open(QuAcK_dir + '/mol/' + xyz,'r')
+f = open(working_dir+'/mol/'+xyz,'r')
 lines = f.read().splitlines()
 nbAt = int(lines.pop(0))
 lines.pop(0)