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cyclopentadiene.ang
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Add preparation files for localization of cyclopentadiene
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2020-11-17 10:13:38 +01:00 |
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cyclopentadiene.fc.out
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Add firsts output of cyclopentadiene cc-pvdz
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2020-10-27 11:04:04 +01:00 |
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cyclopentadiene.fci.out
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Add all out for cyclopentadiene
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2020-10-28 11:22:31 +01:00 |
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cyclopentadiene.localized.nofci.out
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Update outputs
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2020-11-30 09:58:00 +01:00 |
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cyclopentadiene.mo
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Update files
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2020-12-05 15:36:29 +01:00 |
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cyclopentadiene.natorb.out
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Add all out for cyclopentadiene
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2020-10-28 11:22:31 +01:00 |
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cyclopentadiene.nofci.out
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update output and new calculation pyridine and pyrimidine
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2020-11-08 12:08:44 +01:00 |
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cyclopentadiene.restart2.nofci.out
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Update outputs
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2021-01-18 10:31:30 +01:00 |
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cyclopentadiene.restart.nofci.out
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Update outputs
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2020-12-24 15:33:57 +01:00 |
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cyclopentadiene.restart.slaves.out
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Update outputs
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2021-01-18 10:31:30 +01:00 |
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cyclopentadiene.scf.out
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Add firsts output of cyclopentadiene cc-pvdz
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2020-10-27 11:04:04 +01:00 |
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cyclopentadiene.xyz
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Add cyclopentadiene.xyz
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2020-10-27 10:21:05 +01:00 |
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localize.sh
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Add preparation files for localization of cyclopentadiene
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2020-11-17 10:13:38 +01:00 |
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run_fci.sh
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cyclopentadiene
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2020-10-27 09:42:09 +01:00 |
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run_loc.sh
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Add preparation files for localization of cyclopentadiene
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2020-11-17 10:13:38 +01:00 |
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run_restart.sh
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Restart localized for cyclopentadiene
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2020-12-10 11:34:29 +01:00 |
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slurm-486827.out
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update output and new calculation pyridine and pyrimidine
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2020-11-08 12:08:44 +01:00 |
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slurm-497446.out
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Add localization failed slurm file
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2020-11-17 10:16:13 +01:00 |
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slurm-498044.out
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Update outputs
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2020-11-30 09:58:00 +01:00 |
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slurm-511930.out
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Update outputs
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2020-12-24 15:33:57 +01:00 |
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slurm-519954.out
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Update outputs
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2021-01-18 10:31:30 +01:00 |
