Skip to content

Commit 8f3b85d

Browse files
authored
Merge pull request #2873 from ReactionMechanismGenerator/orcahess
added full path to hessian search in orca adapter.
2 parents e848daa + 7fd6ce1 commit 8f3b85d

1 file changed

Lines changed: 1 addition & 1 deletion

File tree

arkane/ess/orca.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -116,7 +116,7 @@ def load_force_constant_matrix(self):
116116
for (_, _, files) in os.walk(os.path.dirname(self.path)):
117117
for file_ in files:
118118
if file_.endswith('.hess'):
119-
hess_files.append(file_)
119+
hess_files.append(os.path.join(os.path.dirname(self.path), file_))
120120
break
121121
if len(hess_files) == 1:
122122
hess_file = hess_files[0]

0 commit comments

Comments
 (0)