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7ca70a88bd
Ec/pyridine/cc-pvdz
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Mickaël Véril 7ca70a88bd Update outputs
2020-12-15 10:03:39 +01:00
..
localize.sh Localise pyridine 2020-12-05 15:04:11 +01:00
pyridine.ang Localise pyridine 2020-12-05 15:04:11 +01:00
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.localized.nofci.out Update outputs 2020-12-15 10:03:39 +01:00
pyridine.mo Update files 2020-12-05 15:36:29 +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 outpus 2020-11-18 10:01:08 +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
run_loc.sh Localise pyridine 2020-12-05 15:04:11 +01:00
slurm-490268.out Update outpus 2020-11-18 10:01:08 +01:00
slurm-508621.out Update outputs 2020-12-15 10:03:39 +01:00