예제 #1
0
def test_oh2_charges():
    for scheme in iter_oh2_sto3g_gaussian_schemes():
        yield check_oh2_charges, scheme
예제 #2
0
def test_oh2_charges():
    for scheme in iter_oh2_sto3g_gaussian_schemes():
        yield check_oh2_charges, scheme
예제 #3
0
def test_oh2_bond_orders():
    for scheme in iter_oh2_sto3g_gaussian_schemes():
        yield check_oh2_bond_orders, scheme
예제 #4
0
def test_oh2_bond_orders():
    for scheme in iter_oh2_sto3g_gaussian_schemes():
        yield check_oh2_bond_orders, scheme