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Minor fix in trexio import
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@ -459,8 +459,9 @@ def write_ezfio(trexio_filename, filename):
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beta = [ i for i in range(num_beta) ]
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beta = [ i for i in range(num_beta) ]
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if trexio.has_mo_spin(trexio_file):
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if trexio.has_mo_spin(trexio_file):
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spin = trexio.read_mo_spin(trexio_file)
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spin = trexio.read_mo_spin(trexio_file)
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beta = [ i for i in range(mo_num) if spin[i] == 1 ]
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if max(spin) == 1:
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beta = [ beta[i] for i in range(num_beta) ]
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beta = [ i for i in range(mo_num) if spin[i] == 1 ]
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beta = [ beta[i] for i in range(num_beta) ]
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alpha = qp_bitmasks.BitMask(alpha)
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alpha = qp_bitmasks.BitMask(alpha)
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beta = qp_bitmasks.BitMask(beta )
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beta = qp_bitmasks.BitMask(beta )
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