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f8d47d66d7
Ec/pyrimidine/cc-pvdz
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Mickaël Véril f8d47d66d7 Update outputs
2020-12-17 09:21:54 +01:00
..
localize.sh Localize pyrimidine 2020-12-05 15:31:23 +01:00
pyrimidine.ang Localize pyrimidine 2020-12-05 15:31:23 +01:00
pyrimidine.fc.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyrimidine.fci.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyrimidine.localized.nofci.out Update outputs 2020-12-17 09:21:54 +01:00
pyrimidine.mo Update files 2020-12-05 15:36:29 +01:00
pyrimidine.natorb.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyrimidine.nofci.out Update outpus 2020-11-18 10:01:08 +01:00
pyrimidine.scf.out update output and new calculation pyridine and pyrimidine 2020-11-08 12:08:44 +01:00
pyrimidine.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
run_loc.sh Localize pyrimidine 2020-12-05 15:31:23 +01:00
slurm-490240.out Update outpus 2020-11-18 10:01:08 +01:00
slurm-508624.out Update outputs 2020-12-17 09:21:54 +01:00