Mickaël Véril 4a439546c5 update output and new calculation pyridine and pyrimidine		2020-11-08 12:08:44 +01:00
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pyrazine.fc.out	Update output files	2020-11-05 11:14:40 +01:00
pyrazine.fci.out	Update output files	2020-11-05 11:14:40 +01:00
pyrazine.natorb.out	Update output files	2020-11-05 11:14:40 +01:00
pyrazine.nofci.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
pyrazine.scf.out	Update output files	2020-11-05 11:14:40 +01:00
pyrazine.xyz	Add pyrazine	2020-11-03 14:19:53 +01:00
run_fci.sh	Add pyrazine	2020-11-03 14:19:53 +01:00
slurm-490134.out	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00