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compute_NPE.pl
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add scripts
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cp_to_manuscript.sh
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fit_diss.gnu
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add scripts
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fit_eq_0.gnu
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fit_eq.gnu
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fit_eq.sh
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pes_CIo1.5.dat
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update PECs
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pes_CIo1.dat
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update PECs
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pes_CIo2.5.dat
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pes_CIo2.dat
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pes_CIo3.5.dat
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pes_CIo3.dat
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pes_CIo4.dat
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pes_CISD.dat
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pes_CISDT.dat
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pes_CISDTQ.dat
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pes_fci.dat
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pes_ooCIo1.5.dat
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pes_ooCIo1.dat
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pes_ooCIo2.dat
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pes_ooCISD.dat
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update PECs
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pes_rhf.dat
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update PECs
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plot_eq.sh
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add scripts
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plot_error.gnu
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update gnuplot files
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plot_error.sh
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plot_pes.gnu
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update gnuplot files
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plot_pes.sh
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plot_stat.gnu
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plot_stat.sh
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xe.gnu
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xe.sh
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add scripts
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