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| Working directory: |
| eUNBmbdB9w / mlp / grp78-nkp1339_solvent_uccsdt |
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| 337621 Thu Jun 26 14:19:25 2025 | energies_hf_ump2_uccsd_uccsd_t_solvated | |||||
| 2724 Thu Jun 26 14:19:25 2025 | extract_nevpt2_structures.py | |||||
| 175120039 Thu Jun 26 14:19:38 2025 | input.data | |||||
| 104226496 Thu Jun 26 14:19:49 2025 | input.data_T | |||||
| 175218031 Thu Jun 26 14:19:14 2025 | input.data_mmelec | |||||
| 175234363 Thu Jun 26 14:19:46 2025 | input.data_qmmm | |||||
| 104183065 Thu Jun 26 14:19:41 2025 | input.data_uccsdt_3229 | |||||
| 104226695 Thu Jun 26 14:19:33 2025 | input.data_uccsdt_3229_mmelec | |||||
| 104168374 Thu Jun 26 14:19:52 2025 | input.data_uccsdt_3229_qmqmmm-mmelec | |||||
| 29 Thu Jun 26 14:19:29 2025 | job_id | |||||
| 4096 Thu Jun 26 14:19:21 2025 | old | |||||
| 4096 Thu Jun 26 14:19:04 2025 | output_directory | |||||
| 550 Thu Jun 26 14:19:49 2025 | remove_last_n_structures.py | |||||
| 0 Thu Jun 26 14:17:29 2025 | slurm.err | |||||
| 3880962 Thu Jun 26 14:19:25 2025 | slurm.out | |||||
| 463 Thu Jun 26 14:19:29 2025 | submit.sh | |||||
| 4096 Thu Jun 26 14:19:29 2025 | training_outputs | |||||
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