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| Working directory: |
| eUNBmbdB9w / mlp / grp78-nkp1339_complex_shrunk_uccsdt |
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| 388233 Thu Jun 26 14:14:44 2025 | energies_hf_ump2_uccsd_uccsd_t_protein | |||||
| 2724 Thu Jun 26 14:14:45 2025 | extract_nevpt2_structures.py | |||||
| 154806291 Thu Jun 26 14:14:56 2025 | input.data | |||||
| 11496597 Thu Jun 26 14:14:44 2025 | input.data.new | |||||
| 126064819 Thu Jun 26 14:15:03 2025 | input.data_T | |||||
| 154888587 Thu Jun 26 14:14:43 2025 | input.data_mmelec | |||||
| 154902303 Thu Jun 26 14:15:00 2025 | input.data_qmmm | |||||
| 126014745 Thu Jun 26 14:14:53 2025 | input.data_uccsdt_3713 | |||||
| 126064834 Thu Jun 26 14:12:18 2025 | input.data_uccsdt_3713_mmelec | |||||
| 125997985 Thu Jun 26 14:12:22 2025 | input.data_uccsdt_3713_qmqmmm-mmelec | |||||
| 29 Thu Jun 26 14:14:53 2025 | job_id | |||||
| 4096 Thu Jun 26 14:14:34 2025 | output_directory | |||||
| 0 Thu Jun 26 14:12:22 2025 | slurm.err | |||||
| 3866504 Thu Jun 26 14:14:44 2025 | slurm.out | |||||
| 477 Thu Jun 26 14:14:50 2025 | submit.sh | |||||
| 4096 Thu Jun 26 14:14:49 2025 | training_outputs | |||||
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