diff --git a/tests/unit_test/unit_test.py b/tests/unit_test/unit_test.py index 53086de9..598300c5 100755 --- a/tests/unit_test/unit_test.py +++ b/tests/unit_test/unit_test.py @@ -20,7 +20,7 @@ Energy = namedtuple('Energy', ['without_pseudo', 'with_pseudo']) # O p t # # ~#~#~ # -precision = 1.e-7 +precision = 2.e-7 # A test get a geo file and a basis file. # A global dict containt the result for this test @@ -169,7 +169,7 @@ def run_hf(geo, basis, mult=1, pseudo=False, remove_after_sucess=True): ref_energy["sto-3g"]["methane"] = Energy(-39.7267433402, None) ref_energy["vdz"]["SO2"] = Energy(None, -41.48912297776174) - ref_energy["vdz"]["HBO"] = Energy(None, -19.11982540413317) + ref_energy["vdz"]["HBO"] = Energy(None, -19.11982530413317) # ~#~#~#~#~#~#~#~#~#~#~#~#~#~#~ # # G l o b a l _ v a r i a b l e #