Ec/pyrrole/cc-pvdz
2021-01-18 10:31:30 +01:00
..
localize Localize pyrrole 2020-12-05 15:35:17 +01:00
localize.sh Localize pyrrole 2020-12-05 15:35:17 +01:00
pyrrole.ang Localize pyrrole 2020-12-05 15:35:17 +01:00
pyrrole.fc.out Update outputs 2020-11-16 09:46:09 +01:00
pyrrole.fci.out Update outputs 2020-11-16 09:46:09 +01:00
pyrrole.localized.nofci.out Update outputs 2020-12-17 09:21:54 +01:00
pyrrole.mo Update files 2020-12-05 15:36:29 +01:00
pyrrole.natorb.out Update outputs 2020-11-16 09:46:09 +01:00
pyrrole.nofci.out Update outputs 2020-11-30 09:58:00 +01:00
pyrrole.restart.nofci.out Update outputs 2021-01-18 10:31:30 +01:00
pyrrole.scf.out Update outputs 2020-11-16 09:46:09 +01:00
pyrrole.xyz Add pyrrole 2020-11-12 11:07:00 +01:00
run_fci.sh Add pyrrole 2020-11-12 11:07:00 +01:00
run_loc.sh Localize pyrrole 2020-12-05 15:35:17 +01:00
run_restart.sh Restart pyrrole 2020-12-17 13:51:01 +01:00
slurm-494951.out Update outputs 2020-11-30 09:58:00 +01:00
slurm-508625.out Update outputs 2020-12-17 09:21:54 +01:00
slurm-516353.out Update outputs 2021-01-18 10:31:30 +01:00