Mickaël Véril 4a439546c5 update output and new calculation pyridine and pyrimidine		2020-11-08 12:08:44 +01:00
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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 output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +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 output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00