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	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
pyridine.fci.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
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	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
pyridine.nofci.out	Update outpus	2020-11-18 10:01:08 +01:00
pyridine.restart.nofci.out	Update outputs	2021-01-18 10:31:30 +01:00
pyridine.scf.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
pyridine.xyz	Add pyridine and pyrimidine	2020-11-03 16:59:57 +01:00
run_fci.sh	Add pyridine and pyrimidine	2020-11-03 16:59:57 +01:00
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	Update outpus	2020-11-18 10:01:08 +01:00
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