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adit
322ddc4ad6
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2 years ago | |
|---|---|---|
| .. | ||
| .xtboptok | 2 years ago | |
| charges | 2 years ago | |
| cmmd.in | 2 years ago | |
| geom.xyz | 2 years ago | |
| run.sh | 2 years ago | |
| slurm-2858.out | 2 years ago | |
| wbo | 2 years ago | |
| xtb.out | 2 years ago | |
| xtbopt.log | 2 years ago | |
| xtbopt.xyz | 2 years ago | |
| xtbrestart | 2 years ago | |
| xtbscan.log | 2 years ago | |
| xtbtopo.mol | 2 years ago | |