Mickaël Véril f7b1cb369f Update files		2020-12-05 15:36:29 +01:00
..
localize.sh	Localize pyrimidine	2020-12-05 15:31:23 +01:00
pyrimidine.ang	Localize pyrimidine	2020-12-05 15:31:23 +01:00
pyrimidine.fc.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
pyrimidine.fci.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
pyrimidine.localized.nofci.out	Update files	2020-12-05 15:36:29 +01:00
pyrimidine.mo	Update files	2020-12-05 15:36:29 +01:00
pyrimidine.natorb.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
pyrimidine.nofci.out	Update outpus	2020-11-18 10:01:08 +01:00
pyrimidine.scf.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
pyrimidine.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	Localize pyrimidine	2020-12-05 15:31:23 +01:00
slurm-490240.out	Update outpus	2020-11-18 10:01:08 +01:00
slurm-508624.out	Update files	2020-12-05 15:36:29 +01:00