| .. |
|
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 |
|
fci_1.1.dat
|
update results
|
2022-01-14 17:05:13 +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_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.dat
|
update PES
|
2021-11-03 18:08:46 +01:00 |
|
pes_ooCIo2.dat
|
update PES
|
2021-11-03 18:08:46 +01:00 |
|
pes_ooCIpD.dat
|
update PES
|
2021-11-03 18:08:46 +01:00 |
|
pes_ooCISD.dat
|
update PES
|
2021-11-03 18:08:46 +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.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.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.e2.dat
|
update PESs of N2
|
2021-05-20 10:50:08 +02:00 |
|
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.e3.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.e4.dat
|
PES of N2 complete
|
2021-05-22 16:42:53 +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.e5.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_error.gnu
|
update results
|
2022-01-14 17:05:13 +01:00 |
|
plot_frac.gnu
|
update results
|
2022-01-14 17:05:13 +01:00 |
|
plot_pes.gnu
|
update results
|
2022-01-14 17:05:13 +01:00 |
