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compute_NPE.pl
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saving work
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cp_to_manuscript.sh
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saving work
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fit_eq.gnu
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saving work
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fit_eq.sh
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saving work
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force.gnu
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saving work
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force.sh
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saving work
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freq.gnu
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update
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freq.sh
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saving work
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pes_CIo1.5.dat
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saving work
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pes_CIo1.dat
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saving work
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pes_CIo2.5.dat
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update
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pes_CIo2.dat
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saving work
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pes_CIo3.5.dat
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update
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pes_CIo3.dat
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update
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pes_CIo4.dat
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update
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pes_CISD.dat
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update
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pes_CISDT.dat
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update
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pes_CISDTQ.dat
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update
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pes_fci.dat
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update
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pes_rhf.dat
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saving work
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pes_s0.dat
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saving work
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pes_s2.dat
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saving work
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pes_s4.dat
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fitting details and corrected ethylene
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2022-03-07 15:36:36 +01:00 |
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plot_closeness.gnu
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saving work
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plot_closeness.sh
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saving work
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plot_error_1.gnu
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saving work
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plot_error.gnu
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update
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plot_error.sh
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saving work
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plot_frac.gnu
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saving work
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plot_pes_1.gnu
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saving work
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plot_pes.gnu
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saving work
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plot_pes.sh
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saving work
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plot_stat.gnu
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update
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plot_stat.sh
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saving work
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plot.gnu
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saving work
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plot.sh
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saving work
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run_stat.sh
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saving work
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xe.gnu
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update
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xe.sh
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saving work
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