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ci_exc_1.1.dat
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update results
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2022-01-14 17:05:13 +01:00 |
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cio_1.1.dat
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update results
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2022-01-14 17:05:13 +01:00 |
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fci_1.1.dat
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update results
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2022-01-14 17:05:13 +01:00 |
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pes_ccsd_t.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_ccsd.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_CIo1.5.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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2021-11-03 18:08:46 +01:00 |
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pes_CIo2.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_CIo3.5.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_CIo3.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_CIo4.5.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_CIo4.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_CIo5.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_cisd_g16.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_CISD.dat
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update PECs
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2022-01-28 20:46:59 +01:00 |
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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_CISDTQQ.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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first data
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2021-04-26 13:45:27 +02:00 |
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pes_HFCIpD.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.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.dat
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update PECs
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2022-01-28 20:46:59 +01:00 |
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pes_ooCIpD.dat
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update PES
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2021-11-03 18:08:46 +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_oopccd.dat
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update PES
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2021-11-03 18:08:46 +01:00 |
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pes_orbital_energy_1.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_2.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_3.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_4.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_5.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_6.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_7.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_8.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_9.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_10.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_11.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_12.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_13.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_14.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_15.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_16.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_17.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_18.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_19.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_20.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_21.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_22.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_23.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_24.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_25.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_26.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_27.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_orbital_energy_28.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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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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first data
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2021-04-26 13:45:27 +02:00 |
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pes_s0.e2.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_s0.e4.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_s0.e6.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_s0.e8.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_s0.e10.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s2.e2.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_s2.e3.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s2.e4.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_s2.e5.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_s2.e6.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s2.e7.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_s2.e8.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_s2.e9.dat
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first data
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2021-04-26 13:45:27 +02:00 |
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pes_s2.e10.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s4.e2.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s4.e3.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s4.e4.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s4.e5.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s4.e6.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s4.e7.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s4.e8.dat
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PES of N2 complete
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2021-05-22 16:42:53 +02:00 |
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pes_s4.e9.dat
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PES of N2 complete
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2021-05-22 16:42:53 +02:00 |
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pes_s4.e10.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s6.e3.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s6.e4.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s6.e5.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s6.e6.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s6.e7.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s6.e8.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s6.e9.dat
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PES of N2 complete
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2021-05-22 16:42:53 +02:00 |
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pes_s6.e10.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s8.e4.dat
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PES of N2 complete
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2021-05-22 16:42:53 +02:00 |
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pes_s8.e5.dat
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PES of N2 complete
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2021-05-22 16:42:53 +02:00 |
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pes_s8.e6.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s8.e7.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s8.e8.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s8.e9.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s8.e10.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s10.e5.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s10.e6.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s10.e7.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s10.e8.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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pes_s10.e9.dat
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update PESs of N2
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2021-05-20 10:50:08 +02:00 |
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plot_error.gnu
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update gnuplot files
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2022-01-28 20:50:37 +01:00 |
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plot_frac.gnu
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update results
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2022-01-14 17:05:13 +01:00 |
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plot_pes.gnu
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update gnuplot files
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2022-01-28 20:50:37 +01:00 |
