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