path issues for H2O.xyz

rdguha1995 · Jan 9, 2024 · a808cda · a808cda
1 parent 1e28be1
commit a808cda
Showing 1 changed file with 2 additions and 2 deletions.
diff --git 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)