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Better handling of normf=1
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@ -146,7 +146,13 @@ def write_ezfio(res, filename):
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ezfio.set_ao_basis_ao_nucl(at)
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ezfio.set_ao_basis_ao_prim_num(num_prim)
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ezfio.set_ao_basis_ao_power(power_x + power_y + power_z)
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ezfio.set_ao_basis_ao_normalized(False)
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try:
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if res.normf == 0:
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ezfio.set_ao_basis_ao_normalized(True)
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elif res.normf == 1:
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ezfio.set_ao_basis_ao_normalized(False)
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except:
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ezfio.set_ao_basis_ao_normalized(True)
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# ~#~#~#~#~#~#~ #
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# P a r s i n g #
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