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Ec/thiophene/cc-pvdz
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Mickaël Véril f8d47d66d7 Update outputs
2020-12-17 09:21:54 +01:00
..
localize.sh
Localize thiophene
2020-12-10 10:49:13 +01:00
run_fci.sh
Add thiophene
2020-11-12 16:05:56 +01:00
run_loc.sh
Localize thiophene
2020-12-10 10:49:13 +01:00
slurm-496706.out
Update outputs
2020-11-30 09:58:00 +01:00
slurm-511893.out
Update outputs
2020-12-17 09:21:54 +01:00
thiophene.ang
Localize thiophene
2020-12-10 10:49:13 +01:00
thiophene.fc.out
Update outputs
2020-11-16 09:46:09 +01:00
thiophene.fci.out
Update outputs
2020-11-16 09:46:09 +01:00
thiophene.localized.nofci.out
Update outputs
2020-12-17 09:21:54 +01:00
thiophene.mo
Update outpus
2020-12-10 11:28:58 +01:00
thiophene.natorb.out
Update outputs
2020-11-16 09:46:09 +01:00
thiophene.nofci.out
Update outputs
2020-11-30 09:58:00 +01:00
thiophene.scf.out
Update outputs
2020-11-16 09:46:09 +01:00
thiophene.xyz
Add thiophene
2020-11-12 16:05:56 +01:00