seniority/Be2_cc-pvtz
2022-02-18 09:55:37 +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 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 2022-02-07 20:14:30 +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 2022-02-14 23:00:29 +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 2022-02-07 22:06:27 +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 2022-02-17 18:25:19 +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 update 2022-02-07 20:14:30 +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 2022-02-07 20:14:30 +01:00
xe.sh add scripts 2022-01-28 22:56:12 +01:00