Ec/furan/cc-pvdz
2020-11-27 12:03:38 +01:00
..
furan.ang loc furan 2020-11-05 10:29:28 +01:00
furan.fc.out benzene and furan 2020-10-26 21:58:41 +01:00
furan.fci.out benzene and furan 2020-10-26 21:58:41 +01:00
furan.localized.nofci.out update olympe 2020-11-16 08:38:49 +01:00
furan.mo loc furan 2020-11-05 10:29:28 +01:00
furan.natorb.out benzene and furan 2020-10-26 21:58:41 +01:00
furan.nofci.out benzene and furan 2020-10-26 21:58:41 +01:00
furan.restart.nofci.out restart furan and benzene 2020-11-27 12:03:38 +01:00
furan.scf.out benzene and furan 2020-10-26 21:58:41 +01:00
furan.xyz benzene and furan 2020-10-26 21:58:41 +01:00
localize localization scripts 2020-11-04 16:04:33 +01:00
localize.sh loc furan 2020-11-05 10:29:28 +01:00
run_fci.sh benzene and furan 2020-10-26 21:58:41 +01:00
run_loc.sh loc furan 2020-11-05 10:29:28 +01:00
run_restart.sh restart furan and benzene 2020-11-27 12:03:38 +01:00
slurm-480921.out benzene and furan 2020-10-26 21:58:41 +01:00