move test geometry
@@ -503,7 +503,7 @@ def test_dataset_protocols(fractal_compute_server):
# Build basis dataset
ds = ptl.collections.Dataset("protocol_dataset", client, default_program="psi4", default_driver="energy")
- ds.add_entry("He1", ptl.Molecule.from_data("He -1 0 0\n--\nHe 0 0 1.2"))
+ ds.add_entry("He1", ptl.Molecule.from_data("He 0 0 0\n--\nHe 0 0 2.2"))
ds.save()
# compute the wavefunction
