Fix bug canonical_mo_coeff #4
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Previous implementation np.argmax(1e-5 < np.abs(mo_coeff), axis=0). 1e-5 < np.abs(mo_coeff) returns a bool matrix, therefore np.argmax just chooses the first True argument, regardless of their modulus.
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Previous implementation np.argmax(1e-5 < np.abs(mo_coeff), axis=0). 1e-5 < np.abs(mo_coeff) returns a bool matrix, therefore np.argmax just chooses the first True argument, regardless of their modulus.