seniority/H2O_cc-pvdz
2022-02-03 18:59:51 +01:00
..
compute_NPE.pl add scripts 2022-01-28 22:56:12 +01:00
cp_to_manuscript.sh add scripts 2022-01-28 22:56:12 +01:00
fit_eq.gnu add scripts 2022-01-28 22:56:12 +01:00
fit_eq.sh update 2022-02-01 20:49:03 +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 2022-02-01 20:49:03 +01:00
freq.sh update 2022-02-01 20:49:03 +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_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_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_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_s2.e5.dat first data 2021-04-26 13:45:27 +02:00
pes_s2.e6.dat first data 2021-04-26 13:45:27 +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_s4.dat update 2022-02-03 10:34:08 +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_s4.e5.dat first data 2021-04-26 13:45:27 +02:00
pes_s4.e6.dat first data 2021-04-26 13:45:27 +02:00
pes_s4.e7.dat first data 2021-04-26 13:45:27 +02:00
pes_s4.e8.dat first data 2021-04-26 13:45:27 +02:00
pes_s6.e4.dat update PES 2021-11-03 18:08:46 +01:00
pes_s6.e5.dat first data 2021-04-26 13:45:27 +02:00
pes_s6.e6.dat first data 2021-04-26 13:45:27 +02:00
pes_s6.e7.dat first data 2021-04-26 13:45:27 +02:00
pes_s8.e6.dat first data 2021-04-26 13:45:27 +02:00
pes_s8.e7.dat first data 2021-04-26 13:45:27 +02:00
plot_error_1.gnu add scripts 2022-01-28 22:56:12 +01:00
plot_error.gnu update 2022-02-03 18:59:51 +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.gnu update 2022-02-03 10:34:08 +01:00
plot_pes.sh add scripts 2022-01-28 22:56:12 +01:00
plot_stat.gnu add scripts 2022-01-28 22:56:12 +01:00
plot_stat.sh add scripts 2022-01-28 22:56:12 +01:00
xe.gnu add scripts 2022-01-28 22:56:12 +01:00
xe.sh add scripts 2022-01-28 22:56:12 +01:00