Ec/thiophene/cc-pvdz
2020-12-24 15:33:57 +01:00
..
localize.sh Localize thiophene 2020-12-10 10:49:13 +01:00
run_fci.sh Add thiophene 2020-11-12 16:05:56 +01:00
run_loc.sh Localize thiophene 2020-12-10 10:49:13 +01:00
run_restart.sh Restart thiophene 2020-12-22 15:16:31 +01:00
slurm-496706.out Update outputs 2020-11-30 09:58:00 +01:00
slurm-511893.out Update outputs 2020-12-24 15:33:57 +01:00
thiophene.ang Localize thiophene 2020-12-10 10:49:13 +01:00
thiophene.fc.out Update outputs 2020-11-16 09:46:09 +01:00
thiophene.fci.out Update outputs 2020-11-16 09:46:09 +01:00
thiophene.localized.nofci.out Update outputs 2020-12-24 15:33:57 +01:00
thiophene.mo Update outpus 2020-12-10 11:28:58 +01:00
thiophene.natorb.out Update outputs 2020-11-16 09:46:09 +01:00
thiophene.nofci.out Update outputs 2020-11-30 09:58:00 +01:00
thiophene.scf.out Update outputs 2020-11-16 09:46:09 +01:00
thiophene.xyz Add thiophene 2020-11-12 16:05:56 +01:00