Merge pull request #240 from mcbennet/master
Correcting spin-multiplicity
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commit
9d6c22e261
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@ -60,7 +60,7 @@ beta = ezfio.get_electrons_elec_beta_num()
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print "elec_alpha_num", alpha
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print "elec_alpha_num", alpha
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print "elec_beta_num", beta
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print "elec_beta_num", beta
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print "elec_tot_num", alpha + beta
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print "elec_tot_num", alpha + beta
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print "spin_multiplicity", 2 * (alpha - beta) + 1
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print "spin_multiplicity", (alpha - beta) + 1
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l_label = ezfio.get_nuclei_nucl_label()
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l_label = ezfio.get_nuclei_nucl_label()
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l_charge = ezfio.get_nuclei_nucl_charge()
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l_charge = ezfio.get_nuclei_nucl_charge()
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