Mickaël Véril c34f067956 Update outputs		2021-01-18 10:31:30 +01:00
..
localize.sh	Localise pyridine	2020-12-05 15:04:11 +01:00
pyridine.ang	Localise pyridine	2020-12-05 15:04:11 +01:00
pyridine.fc.out
pyridine.fci.out
pyridine.localized.nofci.out	Update outputs	2020-12-15 10:03:39 +01:00
pyridine.mo	Update files	2020-12-05 15:36:29 +01:00
pyridine.natorb.out
pyridine.nofci.out
pyridine.restart.nofci.out	Update outputs	2021-01-18 10:31:30 +01:00
pyridine.scf.out
pyridine.xyz
run_fci.sh
run_loc.sh	Localise pyridine	2020-12-05 15:04:11 +01:00
run_restart.sh	Restart pyridine	2020-12-17 13:46:40 +01:00
slurm-490268.out
slurm-508621.out	Update outputs	2020-12-17 09:21:54 +01:00
slurm-516351.out	Update outputs	2021-01-18 10:31:30 +01:00