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localize.sh
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Localize thiophene
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2020-12-10 10:49:13 +01:00 |
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run_fci.sh
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Add thiophene
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2020-11-12 16:05:56 +01:00 |
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run_loc.sh
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Localize thiophene
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2020-12-10 10:49:13 +01:00 |
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run_restart.sh
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Restart thiophene
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2020-12-22 15:16:31 +01:00 |
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slurm-496706.out
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Update outputs
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2020-11-30 09:58:00 +01:00 |
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slurm-511893.out
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Update outputs
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2020-12-24 15:33:57 +01:00 |
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thiophene.ang
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Localize thiophene
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2020-12-10 10:49:13 +01:00 |
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thiophene.fc.out
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Update outputs
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2020-11-16 09:46:09 +01:00 |
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thiophene.fci.out
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Update outputs
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2020-11-16 09:46:09 +01:00 |
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thiophene.localized.nofci.out
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Update outputs
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2020-12-24 15:33:57 +01:00 |
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thiophene.mo
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Update outpus
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2020-12-10 11:28:58 +01:00 |
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thiophene.natorb.out
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Update outputs
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2020-11-16 09:46:09 +01:00 |
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thiophene.nofci.out
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Update outputs
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2020-11-30 09:58:00 +01:00 |
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thiophene.scf.out
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Update outputs
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2020-11-16 09:46:09 +01:00 |
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thiophene.xyz
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Add thiophene
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2020-11-12 16:05:56 +01:00 |
Mickaël Véril
236b6c2098