diff --git a/arc/job/adapters/xtb_test.py b/arc/job/adapters/xtb_test.py index 7a7f9fcbda..a5ba522067 100644 --- a/arc/job/adapters/xtb_test.py +++ b/arc/job/adapters/xtb_test.py @@ -260,7 +260,7 @@ def test_opt(self): ('C', 'C', 'O', 'H', 'H', 'H', 'H', 'H')) def test_opt_ts(self): - """Test optimizing a TS using Stella.""" + """Test optimizing a TS using Sella.""" self.assertIsNone(self.job_10.species[0].final_xyz) self.job_10.execute_incore() self.assertTrue(almost_equal_coords(self.job_10.species[0].final_xyz, self.ts_xyz)) diff --git a/devtools/sella_environment.yml b/devtools/sella_environment.yml index 8c84f67fb7..f01fd0158e 100644 --- a/devtools/sella_environment.yml +++ b/devtools/sella_environment.yml @@ -7,6 +7,7 @@ dependencies: - pyyaml - pandas - ncurses + - numpy==1.26.4 - pip: - sella - typing-extensions