seniority/F2_cc-pvdz
2022-03-06 00:47:19 +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.gnu update, still mising SI figs 2022-03-06 00:47:19 +01:00
fit_eq.sh update 2022-02-20 21:59:09 +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.dat update results 2022-01-14 17:05:13 +01:00
pes_ccsdt.dat update results 2022-01-14 17:05:13 +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.dat update PES 2021-11-03 18:08:46 +01:00
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_fci.dat update PES 2021-11-03 18:08:46 +01:00
pes_ooCIo1_1.dat update PECs 2022-01-28 20:46:59 +01:00
pes_ooCIo1.5.dat update PECs 2022-01-28 20:46:59 +01:00
pes_ooCIo1.dat update PECs 2022-01-28 20:46:59 +01:00
pes_ooCIo2.5_1.dat update, still mising SI figs 2022-03-06 00:47:19 +01:00
pes_ooCIo2.dat update PECs 2022-01-28 20:46:59 +01:00
pes_ooCIo3_1.dat update, still mising SI figs 2022-03-06 00:47:19 +01:00
pes_ooCIs0.dat update 2022-02-03 22:13:21 +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 PECs 2022-01-28 20:46:59 +01:00
pes_ooCISD.dat update PECs 2022-01-28 20:46:59 +01:00
pes_ooCISDT_1.dat update, still mising SI figs 2022-03-06 00:47:19 +01:00
pes_pccd.dat update PES 2021-11-03 18:08:46 +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_s0.e2.dat update PES 2021-11-03 18:08:46 +01:00
pes_s0.e3.dat update PES 2021-11-03 18:08:46 +01:00
pes_s0.e4.dat update PES 2021-11-03 18:08:46 +01:00
pes_s2.dat update 2022-02-01 20:49:03 +01:00
pes_s2.e2.dat update PES 2021-11-03 18:08:46 +01:00
pes_s2.e3.dat update PES 2021-11-03 18:08:46 +01:00
pes_s2.e4.dat update PES 2021-11-03 18:08:46 +01:00
pes_s4.dat update 2022-02-10 20:07:06 +01:00
pes_s4.e3.dat update PES 2021-11-03 18:08:46 +01:00
pes_s4.e4.dat update PES 2021-11-03 18:08:46 +01:00
pes_s6.e4.dat update PES 2021-11-03 18:08:46 +01:00
plot_closeness.gnu update 2022-02-07 20:14:30 +01:00
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.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 PES 2021-11-03 18:08:46 +01:00
plot_NPE.gnu add scripts 2022-01-28 22:56:12 +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_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