diff --git a/tests/qchem/jobs/test_core.py b/tests/qchem/jobs/test_core.py index 33749feb31..f572764181 100644 --- a/tests/qchem/jobs/test_core.py +++ b/tests/qchem/jobs/test_core.py @@ -1,4 +1,3 @@ -import os from pathlib import Path import numpy as np @@ -24,7 +23,8 @@ # Construct the full path # mol_path = curr_dir / file_name -mol_path = Path(os.path.abspath(file_name)) +# mol_path = Path(os.path.abspath(file_name)) +mol_path = Path("tests/qchem/jobs/H2O.xyz") H2O_structure = Molecule.from_file(mol_path)