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kossoski 21d4fed58a update, still mising SI figs
2022-03-06 00:47:19 +01:00
..
ci_exc_1.1.dat
update results
2022-01-14 17:05:13 +01:00
cio_1.1.dat
update results
2022-01-14 17:05:13 +01:00
compute_NPE.pl
update
2022-02-17 18:25:19 +01:00
cp_to_manuscript.sh
update
2022-02-22 19:22:35 +01:00
fci_1.1.dat
update results
2022-01-14 17:05:13 +01:00
fit_eq.gnu
update
2022-02-17 18:25:19 +01:00
fit_eq.sh
update
2022-02-18 09:55:37 +01:00
force.gnu
update
2022-02-01 20:49:03 +01:00
force.sh
update
2022-02-01 20:49:03 +01:00
freq.gnu
update, still mising SI figs
2022-03-06 00:47:19 +01:00
freq.sh
update
2022-02-01 20:49:03 +01:00
pes_ccsd_t.dat
update PES
2021-11-03 18:08:46 +01:00
pes_ccsd.dat
update PES
2021-11-03 18:08:46 +01:00
pes_CIo1.5.dat
update PES
2021-11-03 18:08:46 +01:00
pes_CIo1.dat
update PES
2021-11-03 18:08:46 +01:00
pes_CIo2.5.dat
update PES
2021-11-03 18:08:46 +01:00
pes_CIo2.dat
update PES
2021-11-03 18:08:46 +01:00
pes_CIo3.5.dat
update PES
2021-11-03 18:08:46 +01:00
pes_CIo3.dat
update PES
2021-11-03 18:08:46 +01:00
pes_CIo4.5.dat
update PES
2021-11-03 18:08:46 +01:00
pes_CIo4.dat
update PES
2021-11-03 18:08:46 +01:00
pes_CIo5.dat
update PES
2021-11-03 18:08:46 +01:00
pes_cisd_g16.dat
first data
2021-04-26 13:45:27 +02:00
pes_CISD.dat
update PECs
2022-01-28 20:46:59 +01:00
pes_CISDT.dat
update PECs
2022-01-28 20:46:59 +01:00
pes_CISDTQ.dat
update PECs
2022-01-28 20:46:59 +01:00
pes_CISDTQQ.dat
update PECs
2022-01-28 20:46:59 +01:00
pes_fci.dat
first data
2021-04-26 13:45:27 +02:00
pes_HFCIpD.dat
update PES
2021-11-03 18:08:46 +01:00
pes_ooCIo1_1.dat
update
2022-02-03 10:34:08 +01:00
pes_ooCIo1_2.dat
update
2022-02-03 10:34:08 +01:00
pes_ooCIo1_3.dat
update
2022-02-03 22:13:21 +01:00
pes_ooCIo1_4.dat
update
2022-02-11 19:50:56 +01:00
pes_ooCIo1_5.dat
update
2022-02-11 19:50:56 +01:00
pes_ooCIo1_6.dat
update
2022-02-11 19:50:56 +01:00
pes_ooCIo1_7.dat
update
2022-02-11 19:50:56 +01:00
pes_ooCIo1.5.dat
update
2022-02-14 23:00:29 +01:00
pes_ooCIo1.dat
update
2022-02-11 19:50:56 +01:00
pes_ooCIo2_0.dat
update
2022-02-01 20:49:03 +01:00
pes_ooCIo2_1.dat
update
2022-02-03 18:59:51 +01:00
pes_ooCIo2_2.dat
update
2022-02-06 20:22:32 +01:00
pes_ooCIo2_3.dat
update
2022-02-06 20:22:32 +01:00
pes_ooCIo2.5.dat
update
2022-02-14 23:00:29 +01:00
pes_ooCIo2.dat
update
2022-02-14 23:00:29 +01:00
pes_ooCIpD.dat
update PES
2021-11-03 18:08:46 +01:00
pes_ooCIs0_1.dat
update
2022-02-03 22:13:21 +01:00
pes_ooCIs0_2.dat
update
2022-02-11 01:29:07 +01:00
pes_ooCIs0_3.dat
update
2022-02-11 19:50:56 +01:00
pes_ooCIs0.dat
update
2022-02-11 19:50:56 +01:00
pes_ooCIs2_1.dat
update, still mising SI figs
2022-03-06 00:47:19 +01:00
pes_ooCIS.dat
update
2022-02-17 18:25:19 +01:00
pes_ooCISD_1.dat
update
2022-02-14 23:00:29 +01:00
pes_ooCISD.dat
update
2022-02-14 23:00:29 +01:00
pes_oopccd.dat
update PES
2021-11-03 18:08:46 +01:00
pes_orbital_energy_1.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_2.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_3.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_4.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_5.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_6.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_7.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_8.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_9.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_10.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_11.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_12.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_13.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_14.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_15.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_16.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_17.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_18.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_19.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_20.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_21.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_22.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_23.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_24.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_25.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_26.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_27.dat
first data
2021-04-26 13:45:27 +02:00
pes_orbital_energy_28.dat
first data
2021-04-26 13:45:27 +02:00
pes_pccd.dat
update PES
2021-11-03 18:08:46 +01:00
pes_rhf.dat
first data
2021-04-26 13:45:27 +02:00
pes_s0.dat
update
2022-02-01 20:49:03 +01:00
pes_s0.e2.dat
first data
2021-04-26 13:45:27 +02:00
pes_s0.e4.dat
first data
2021-04-26 13:45:27 +02:00
pes_s0.e6.dat
first data
2021-04-26 13:45:27 +02:00
pes_s0.e8.dat
first data
2021-04-26 13:45:27 +02:00
pes_s0.e10.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s2.dat
update
2022-02-01 20:49:03 +01:00
pes_s2.e2.dat
first data
2021-04-26 13:45:27 +02:00
pes_s2.e3.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s2.e4.dat
first data
2021-04-26 13:45:27 +02:00
pes_s2.e5.dat
first data
2021-04-26 13:45:27 +02:00
pes_s2.e6.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s2.e7.dat
first data
2021-04-26 13:45:27 +02:00
pes_s2.e8.dat
first data
2021-04-26 13:45:27 +02:00
pes_s2.e9.dat
first data
2021-04-26 13:45:27 +02:00
pes_s2.e10.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s4.dat
update
2022-02-06 20:22:32 +01:00
pes_s4.e3.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s4.e4.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s4.e5.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s4.e6.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s4.e7.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s4.e8.dat
PES of N2 complete
2021-05-22 16:42:53 +02:00
pes_s4.e9.dat
PES of N2 complete
2021-05-22 16:42:53 +02:00
pes_s4.e10.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s6.e4.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s6.e5.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s6.e6.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s6.e7.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s6.e8.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s6.e9.dat
PES of N2 complete
2021-05-22 16:42:53 +02:00
pes_s6.e10.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s8.e5.dat
PES of N2 complete
2021-05-22 16:42:53 +02:00
pes_s8.e6.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s8.e7.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s8.e8.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s8.e9.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s8.e10.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s10.e6.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s10.e7.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s10.e8.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
pes_s10.e9.dat
update PESs of N2
2021-05-20 10:50:08 +02:00
plot_distance.gnu
update, still mising SI figs
2022-03-06 00:47:19 +01:00
plot_distance.sh
update, still mising SI figs
2022-03-06 00:47:19 +01:00
plot_error_1.gnu
add scripts
2022-01-28 22:56:12 +01:00
plot_error.gnu
update, still mising SI figs
2022-03-06 00:47:19 +01:00
plot_error.sh
add scripts
2022-01-28 22:56:12 +01:00
plot_frac.gnu
update results
2022-01-14 17:05:13 +01:00
plot_pes_1.gnu
add scripts
2022-01-28 22:56:12 +01:00
plot_pes.gnu
update, still mising SI figs
2022-03-06 00:47:19 +01:00
plot_pes.sh
add scripts
2022-01-28 22:56:12 +01:00
plot_r4.gnu
add scripts
2022-01-28 22:56:12 +01:00
plot_r4.sh
add scripts
2022-01-28 22:56:12 +01:00
plot_stat.gnu
update, still mising SI figs
2022-03-06 00:47:19 +01:00
plot_stat.sh
update
2022-02-07 20:14:30 +01:00
plot.gnu
add scripts
2022-01-28 22:56:12 +01:00
plot.sh
add scripts
2022-01-28 22:56:12 +01:00
run_stat.sh
update
2022-02-07 20:14:30 +01:00
xe.gnu
update, still mising SI figs
2022-03-06 00:47:19 +01:00
xe.sh
add scripts
2022-01-28 22:56:12 +01:00