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| Working directory: |
| eUNBmbdB9w / mlp / grp78-nkp1339_complex_shrunk_nevpt2 |
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| 336232 Thu Jun 26 14:11:48 2025 | energies_hf_dmrg_nevpt2_loc_protein_pruned | |||||
| 2724 Thu Jun 26 14:11:48 2025 | extract_nevpt2_structures.py | |||||
| 154806291 Thu Jun 26 14:12:00 2025 | input.data | |||||
| 11496597 Thu Jun 26 14:11:47 2025 | input.data.new | |||||
| 109484543 Thu Jun 26 14:12:12 2025 | input.data_T | |||||
| 154888587 Thu Jun 26 14:11:47 2025 | input.data_mmelec | |||||
| 109441215 Thu Jun 26 14:09:59 2025 | input.data_nevpt2_3233 | |||||
| 109484788 Thu Jun 26 14:11:56 2025 | input.data_nevpt2_3233_mmelec | |||||
| 109426493 Thu Jun 26 14:10:01 2025 | input.data_nevpt2_3233_qmqmmm-mmelec | |||||
| 154902303 Thu Jun 26 14:12:07 2025 | input.data_qmmm | |||||
| 29 Thu Jun 26 14:11:52 2025 | job_id | |||||
| 4096 Thu Jun 26 14:11:39 2025 | output_directory | |||||
| 0 Thu Jun 26 14:09:59 2025 | slurm.err | |||||
| 3866504 Thu Jun 26 14:11:48 2025 | slurm.out | |||||
| 477 Thu Jun 26 14:11:52 2025 | submit.sh | |||||
| 4096 Thu Jun 26 14:11:52 2025 | training_outputs | |||||
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