seniority/H8_cc-pvdz
2022-02-25 19:48:45 +01:00
..
compute_NPE.pl update 2022-02-17 18:25:19 +01:00
cp_to_manuscript.sh add scripts 2022-01-28 22:56:12 +01:00
fit_eq_1.sh update 2022-02-06 20:22:32 +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 2022-02-17 18:25:19 +01:00
force.sh update 2022-02-01 20:49:03 +01:00
freq.gnu update 2022-02-01 20:49:03 +01:00
freq.sh update 2022-02-01 20:49:03 +01:00
pes_CIo1.5.dat update PECs 2022-01-28 20:46:59 +01:00
pes_CIo1.dat update PECs 2022-01-28 20:46:59 +01:00
pes_CIo2.5.dat update PECs 2022-01-28 20:46:59 +01:00
pes_CIo2.dat update PECs 2022-01-28 20:46:59 +01:00
pes_CIo3.5.dat update 2022-02-01 20:49:03 +01:00
pes_CIo3.dat update PECs 2022-01-28 20:46:59 +01:00
pes_CIo4.dat update 2022-02-01 20:49:03 +01:00
pes_CISD.dat update PECs 2022-01-28 20:46:59 +01:00
pes_CISDT.dat update 2022-02-06 20:22:32 +01:00
pes_CISDTQ_1.dat update PECs 2022-01-28 20:46:59 +01:00
pes_CISDTQ_2.dat update 2022-02-01 20:49:03 +01:00
pes_CISDTQ_3.dat update 2022-02-03 10:34:08 +01:00
pes_CISDTQ.dat update 2022-02-22 19:22:35 +01:00
pes_fci.dat update PECs 2022-01-28 20:46:59 +01:00
pes_ooCIo1_1.dat update 2022-02-04 20:11:34 +01:00
pes_ooCIo1.5.dat saving work 2022-02-25 19:48:45 +01:00
pes_ooCIo1.dat update 2022-02-14 23:00:29 +01:00
pes_ooCIo2_1.dat update 2022-02-18 18:24:42 +01:00
pes_ooCIo2.5_1.dat update 2022-02-22 19:22:35 +01:00
pes_ooCIo2.dat update 2022-02-22 19:22:35 +01:00
pes_ooCIs0_1.dat update 2022-02-18 09:55:37 +01:00
pes_ooCIS.dat update 2022-02-17 18:25:19 +01:00
pes_ooCISD.dat saving work 2022-02-25 19:48:45 +01:00
pes_orbital_energy_1.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_2.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_3.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_4.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_5.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_6.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_7.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_8.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_9.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_10.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_11.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_12.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_13.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_14.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_15.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_16.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_17.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_18.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_19.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_20.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_21.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_22.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_23.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_24.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_25.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_26.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_27.dat update PECs 2022-01-28 20:46:59 +01:00
pes_orbital_energy_28.dat update PECs 2022-01-28 20:46:59 +01:00
pes_rhf.dat update PECs 2022-01-28 20:46:59 +01:00
pes_s0.dat update 2022-02-01 20:49:03 +01:00
pes_s2.dat update 2022-02-01 20:49:03 +01:00
pes_s4.dat update 2022-02-07 22:06:27 +01:00
plot_closeness.gnu update 2022-02-07 20:14:30 +01:00
plot_closeness.sh update 2022-02-07 20:14:30 +01:00
plot_error.gnu update 2022-02-20 21:59:09 +01:00
plot_error.sh add scripts 2022-01-28 22:56:12 +01:00
plot_pes.gnu update 2022-02-17 18:25:19 +01:00
plot_pes.sh add scripts 2022-01-28 22:56:12 +01:00
plot_stat.gnu update 2022-02-07 20:14:30 +01:00
plot_stat.sh update 2022-02-07 20:14:30 +01:00
run_stat.sh update 2022-02-07 20:14:30 +01:00
xe.gnu update 2022-02-07 20:14:30 +01:00
xe.sh add scripts 2022-01-28 22:56:12 +01:00