Mickaël Véril 5e729a044d Update outputs		2020-12-09 09:57:38 +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	2020-12-09 09:57:38 +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.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
slurm-490268.out	Update outpus	2020-11-18 10:01:08 +01:00
slurm-508621.out	Update outputs	2020-12-09 09:57:38 +01:00