Mickaël Véril 5e729a044d Update outputs

2020-12-09 09:57:38 +01:00

..

localize.sh

Localise pyridine

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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

2020-12-09 09:57:38 +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

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run_fci.sh

Add pyridine and pyrimidine

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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

2020-12-09 09:57:38 +01:00