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| Working directory: |
| eUNBmbdB9w / mlp / grp78-nkp1339_solvent_ump2 |
| Info | Select/deselect all files | |||||
| 249457 Thu Jun 26 14:24:03 2025 | energies_solvated_ump2_hf | |||||
| 2738 Thu Jun 26 14:24:12 2025 | extract_nevpt2_structures.py | |||||
| 175120039 Thu Jun 26 14:24:25 2025 | input.data | |||||
| 175218031 Thu Jun 26 14:24:03 2025 | input.data_mmelec | |||||
| 175234363 Thu Jun 26 14:24:32 2025 | input.data_qmmm | |||||
| 124059859 Thu Jun 26 14:24:21 2025 | input.data_ump2_3851 | |||||
| 124111775 Thu Jun 26 14:22:17 2025 | input.data_ump2_3851_T | |||||
| 124111835 Thu Jun 26 14:24:19 2025 | input.data_ump2_3851_mmelec | |||||
| 124042457 Thu Jun 26 14:24:28 2025 | input.data_ump2_3851_qmqmmm-mmelec | |||||
| 29 Thu Jun 26 14:24:19 2025 | job_id | |||||
| 4096 Thu Jun 26 14:24:09 2025 | old | |||||
| 4096 Thu Jun 26 14:23:54 2025 | output_directory | |||||
| 550 Thu Jun 26 14:24:32 2025 | remove_last_n_structures.py | |||||
| 0 Thu Jun 26 14:22:17 2025 | slurm.err | |||||
| 3880962 Thu Jun 26 14:24:12 2025 | slurm.out | |||||
| 463 Thu Jun 26 14:24:16 2025 | submit.sh | |||||
| 4096 Thu Jun 26 14:24:16 2025 | training_outputs | |||||
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