update test_molecule.py

qiboteam · Dec 17, 2023 · 41b6d0b · 41b6d0b
1 parent 207a136
commit 41b6d0b
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Showing 3 changed files with 6 additions and 6 deletions.
diff --git a/lih.xyz b/lih.xyz
diff --git a/tests/lih.xyz b/tests/lih.xyz
@@ -0,0 +1,4 @@
+2
+0 1
+Li 0.0 0.0 0.0
+H 0.0 0.0 1.2
diff --git a/tests/test_molecule.py b/tests/test_molecule.py
@@ -29,10 +29,10 @@ def test_run_pyscf():
 
 def test_run_pyscf_molecule_xyz():
     """Pyscf driver with xyz file"""
-    path = "./lih.xyz"
+    path = "./tests/lih.xyz"
     check_file = os.path.exists(path)
     if check_file == False:
-        with open("lih.xyz", "a") as file:
+        with open("./tests/lih.xyz", "a") as file:
             file.write("2\n 0 1\n Li 0.0 0.0 0.0\n H 0.0 0.0 1.2")
     lih_ref_energy = -7.83561582555692
     lih = Molecule(xyz_file="lih.xyz")