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Ec/pyridazine/cc-pvdz
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Mickaël Véril c34f067956 Update outputs
2021-01-18 10:31:30 +01:00
..
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.localized.nofci.out
Update outputs
2020-12-15 10:03:39 +01:00
pyridazine.mo
Update files
2020-12-05 15:36:29 +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.restart.nofci.out
Update outputs
2021-01-18 10:31:30 +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
run_restart.sh
Restart localized pyridazine
2020-12-15 10:09:56 +01:00
slurm-490138.out
Update outputs
2020-11-16 09:46:09 +01:00
slurm-508181.out
Update outputs
2020-12-15 10:03:39 +01:00
slurm-516350.out
Update outputs
2021-01-18 10:31:30 +01:00