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| Working directory: |
| eUNBmbdB9w / mlp / grp78-nkp1339_solvent_nevpt2 |
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| 334880 Thu Jun 26 14:17:19 2025 | energies_hf_dmrg_nevpt2_loc_solvated_pruned | |||||
| 2724 Thu Jun 26 14:17:12 2025 | extract_nevpt2_structures.py | |||||
| 175120039 Thu Jun 26 14:17:23 2025 | input.data | |||||
| 103872466 Thu Jun 26 14:17:29 2025 | input.data_T | |||||
| 175218031 Thu Jun 26 14:16:58 2025 | input.data_mmelec | |||||
| 103829237 Thu Jun 26 14:17:03 2025 | input.data_nevpt2_3220 | |||||
| 103872701 Thu Jun 26 14:17:18 2025 | input.data_nevpt2_3220_mmelec | |||||
| 103814524 Thu Jun 26 14:17:00 2025 | input.data_nevpt2_3220_qmqmmm-mmelec | |||||
| 175234363 Thu Jun 26 14:17:27 2025 | input.data_qmmm | |||||
| 29 Thu Jun 26 14:17:19 2025 | job_id | |||||
| 4096 Thu Jun 26 14:17:09 2025 | old | |||||
| 4096 Thu Jun 26 14:16:42 2025 | output_directory | |||||
| 550 Thu Jun 26 14:17:29 2025 | remove_last_n_structures.py | |||||
| 0 Thu Jun 26 14:15:04 2025 | slurm.err | |||||
| 3880962 Thu Jun 26 14:17:12 2025 | slurm.out | |||||
| 463 Thu Jun 26 14:17:16 2025 | submit.sh | |||||
| 4096 Thu Jun 26 14:17:16 2025 | training_outputs | |||||
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