Mickaël Véril 4a439546c5 update output and new calculation pyridine and pyrimidine		2020-11-08 12:08:44 +01:00
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imidazole.fc.out	Add imidazole out	2020-10-28 11:47:46 +01:00
imidazole.fci.out	Update out	2020-10-29 14:57:16 +01:00
imidazole.natorb.out	Update out	2020-10-29 14:57:16 +01:00
imidazole.nofci.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
imidazole.scf.out	Add imidazole out	2020-10-28 11:47:46 +01:00
imidazole.xyz	Add imidazole	2020-10-28 11:11:28 +01:00
run_fci.sh	Add imidazole	2020-10-28 11:11:28 +01:00
slurm-487471.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00