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compute_NPE.pl
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add scripts
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2022-01-28 22:56:12 +01:00 |
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cp_to_manuscript.sh
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add scripts
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2022-01-28 22:56:12 +01:00 |
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fit_eq.gnu
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add scripts
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2022-01-28 22:56:12 +01:00 |
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fit_eq.sh
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update
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2022-02-01 20:49:03 +01:00 |
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force.gnu
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update
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2022-02-01 20:49:03 +01:00 |
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force.sh
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update
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2022-02-01 20:49:03 +01:00 |
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freq.gnu
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update
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2022-02-01 20:49:03 +01:00 |
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freq.sh
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update
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2022-02-01 20:49:03 +01:00 |
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pes_ccsd.dat
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update results
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2022-01-14 17:05:13 +01:00 |
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pes_ccsdt.dat
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update results
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2022-01-14 17:05:13 +01:00 |
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pes_CIo1.5.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_CIo1.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_CIo2.5.dat
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update PES
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pes_CIo2.dat
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update PES
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pes_CIo3.5.dat
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update PES
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pes_CIo3.dat
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update PES
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pes_CIo4.dat
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update PES
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pes_CISD.dat
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update PECs
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pes_CISDT.dat
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update PECs
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2022-01-28 20:46:59 +01:00 |
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pes_CISDTQ.dat
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update PECs
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2022-01-28 20:46:59 +01:00 |
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pes_fci.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_ooCIo1_1.dat
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update PECs
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2022-01-28 20:46:59 +01:00 |
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pes_ooCIo1_2.dat
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update PECs
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pes_ooCIo1_3.dat
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update PECs
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pes_ooCIo1.5_1.dat
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update PECs
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2022-01-28 20:46:59 +01:00 |
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pes_ooCIo2.5.dat
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update
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2022-02-01 20:49:03 +01:00 |
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pes_ooCIo2.dat
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update PECs
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2022-01-28 20:46:59 +01:00 |
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pes_ooCIo3.dat
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update PECs
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2022-01-28 20:46:59 +01:00 |
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pes_ooCISD.dat
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update PECs
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2022-01-28 20:46:59 +01:00 |
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pes_pccd.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_rhf.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_s0.dat
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update
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2022-02-01 20:49:03 +01:00 |
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pes_s0.e2.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_s0.e3.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_s0.e4.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_s2.dat
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update
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2022-02-03 10:34:08 +01:00 |
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pes_s2.e2.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_s2.e3.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_s2.e4.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_s4.dat
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update
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2022-02-03 10:34:08 +01:00 |
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pes_s4.e3.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_s4.e4.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_s6.e4.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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plot_1.gnu
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add scripts
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2022-01-28 22:56:12 +01:00 |
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plot_error_1.gnu
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add scripts
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2022-01-28 22:56:12 +01:00 |
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plot_error.gnu
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update
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2022-02-01 20:49:03 +01:00 |
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plot_error.sh
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add scripts
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2022-01-28 22:56:12 +01:00 |
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plot_frac.gnu
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update PES
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2021-11-03 18:08:46 +01:00 |
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plot_pes_1.gnu
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add scripts
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2022-01-28 22:56:12 +01:00 |
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plot_pes_view2.gnu
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add scripts
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2022-01-28 22:56:12 +01:00 |
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plot_pes.gnu
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update
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2022-02-01 20:49:03 +01:00 |
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plot_pes.sh
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add scripts
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2022-01-28 22:56:12 +01:00 |
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plot_stat.gnu
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add scripts
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2022-01-28 22:56:12 +01:00 |
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plot_stat.sh
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add scripts
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2022-01-28 22:56:12 +01:00 |
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plot.gnu
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add scripts
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2022-01-28 22:56:12 +01:00 |
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plot.sh
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add scripts
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2022-01-28 22:56:12 +01:00 |
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xe.gnu
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add scripts
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2022-01-28 22:56:12 +01:00 |
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xe.sh
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add scripts
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2022-01-28 22:56:12 +01:00 |
