From 7fd6ce1307aa13f2922801d15ecb225130cec9b5 Mon Sep 17 00:00:00 2001 From: kfir4444 Date: Mon, 26 Jan 2026 11:35:20 +0200 Subject: [PATCH] added full path to hessian search in orca adapter. Before the variable `hess_file` had only the name of the hessian file, without the full path. --- arkane/ess/orca.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/arkane/ess/orca.py b/arkane/ess/orca.py index a97b78fe44..4ca1cece5a 100644 --- a/arkane/ess/orca.py +++ b/arkane/ess/orca.py @@ -116,7 +116,7 @@ def load_force_constant_matrix(self): for (_, _, files) in os.walk(os.path.dirname(self.path)): for file_ in files: if file_.endswith('.hess'): - hess_files.append(file_) + hess_files.append(os.path.join(os.path.dirname(self.path), file_)) break if len(hess_files) == 1: hess_file = hess_files[0]