| .. |
|
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_0.sh
|
update
|
2022-02-18 18:24:42 +01:00 |
|
fit_eq.gnu
|
update
|
2022-02-17 18:25:19 +01:00 |
|
fit_eq.sh
|
update
|
2022-02-18 18:24:42 +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_2.dat
|
update PECs
|
2022-01-28 20:46:59 +01:00 |
|
pes_ooCIo1_3.dat
|
update PECs
|
2022-01-28 20:46:59 +01:00 |
|
pes_ooCIo1_4.dat
|
update
|
2022-02-11 19:50:56 +01:00 |
|
pes_ooCIo1.5_1.dat
|
update PECs
|
2022-01-28 20:46:59 +01:00 |
|
pes_ooCIo1.5.dat
|
update
|
2022-02-14 23:00:29 +01:00 |
|
pes_ooCIo1.dat
|
update
|
2022-02-20 21:59:09 +01:00 |
|
pes_ooCIo2.5.dat
|
update
|
2022-02-01 20:49:03 +01:00 |
|
pes_ooCIo2.dat
|
update PECs
|
2022-01-28 20:46:59 +01:00 |
|
pes_ooCIo3.dat
|
update
|
2022-02-11 01:29:07 +01:00 |
|
pes_ooCIs0.dat
|
update
|
2022-02-14 23:00:29 +01:00 |
|
pes_ooCIS.dat
|
update
|
2022-02-17 18:25:19 +01:00 |
|
pes_ooCISD.dat
|
update PECs
|
2022-01-28 20:46:59 +01:00 |
|
pes_pccd.dat
|
update PES
|
2021-11-03 18:08:46 +01:00 |
|
pes_rhf.dat
|
update PES
|
2021-11-03 18:08:46 +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
|
2022-02-03 10:34:08 +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
|
2022-02-07 20:14:30 +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_1.gnu
|
add scripts
|
2022-01-28 22:56:12 +01:00 |
|
plot_closeness.gnu
|
update, still mising SI figs
|
2022-03-06 00:47:19 +01:00 |
|
plot_closeness.sh
|
update
|
2022-02-07 20:14:30 +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 PES
|
2021-11-03 18:08:46 +01:00 |
|
plot_pes_1.gnu
|
add scripts
|
2022-01-28 22:56:12 +01:00 |
|
plot_pes_view2.gnu
|
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
|
several minor corrections
|
2022-03-09 20:20:46 +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 |
