Ec/tetrazine/cc-pvdz
2020-12-22 15:14:05 +01:00
..
localize Localize tetrazine 2020-12-09 09:55:41 +01:00
localize.sh Localize tetrazine 2020-12-09 09:55:41 +01:00
run_fci.sh Add tetrazine 2020-11-12 13:36:03 +01:00
run_loc.sh Localize tetrazine 2020-12-09 09:55:41 +01:00
run_restart.sh Restart tetrazine 2020-12-22 15:14:05 +01:00
slurm-496707.out Update outputs 2020-11-30 09:58:00 +01:00
slurm-510914.out Update outputs 2020-12-17 09:21:54 +01:00
tetrazine.ang Localize tetrazine 2020-12-09 09:55:41 +01:00
tetrazine.fc.out Update outputs 2020-11-16 09:46:09 +01:00
tetrazine.fci.out Update outpus 2020-11-18 10:01:08 +01:00
tetrazine.localized.nofci.out Update outputs 2020-12-17 09:21:54 +01:00
tetrazine.mo Update outpus 2020-12-10 11:28:58 +01:00
tetrazine.natorb.out Update outpus 2020-11-18 10:01:08 +01:00
tetrazine.nofci.out Update outputs 2020-11-30 09:58:00 +01:00
tetrazine.scf.out Update outputs 2020-11-16 09:46:09 +01:00
tetrazine.xyz Add tetrazine 2020-11-12 13:36:03 +01:00