Mickaël Véril 8ec67ddc19 Localize pyridazine		2020-12-04 11:51:51 +01:00
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localize.sh	Localize pyridazine	2020-12-04 11:51:51 +01:00
pyridazine.ang	Localize pyridazine	2020-12-04 11:51:51 +01:00
pyridazine.fc.out	Update output files	2020-11-05 11:14:40 +01:00
pyridazine.fci.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
pyridazine.natorb.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
pyridazine.nofci.out	Update outputs	2020-11-16 09:46:09 +01:00
pyridazine.scf.out	Update output files	2020-11-05 11:14:40 +01:00
pyridazine.xyz	Add pyridazine	2020-11-03 14:28:44 +01:00
run_fci.sh	Add pyridazine	2020-11-03 14:28:44 +01:00
run_loc.sh	Localize pyridazine	2020-12-04 11:51:51 +01:00
slurm-490138.out	Update outputs	2020-11-16 09:46:09 +01:00