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adit
322ddc4ad6
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2 years ago | |
|---|---|---|
| .. | ||
| IR.pdf | 2 years ago | |
| IR_fit.dat | 2 years ago | |
| cmmd.engrad | 2 years ago | |
| cmmd.gbw | 2 years ago | |
| cmmd.hess | 2 years ago | |
| cmmd.in | 2 years ago | |
| cmmd.opt | 2 years ago | |
| cmmd.out | 2 years ago | |
| cmmd.xtbrestart | 2 years ago | |
| cmmd.xyz | 2 years ago | |
| cmmd_property.txt | 2 years ago | |
| cmmd_trj.xyz | 2 years ago | |
| geom.smi | 2 years ago | |
| geom.xyz | 2 years ago | |
| run.sh | 2 years ago | |
| run_babel.sh | 2 years ago | |
| slurm-2576.out | 2 years ago | |
| slurm-2577.out | 2 years ago | |
| slurm-2602.out | 2 years ago | |