Mickaël Véril f8b215b84d Update outputs		2020-11-16 13:46:57 +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.natorb.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
pyridine.nofci.out	Update outputs	2020-11-16 13:46:57 +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
slurm-490268.out	Update outputs	2020-11-16 13:46:57 +01:00