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3 years ago | |
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.xtboptok | 3 years ago | |
charges | 3 years ago | |
cmmd.in | 3 years ago | |
geom.xyz | 3 years ago | |
run.sh | 3 years ago | |
slurm-2858.out | 3 years ago | |
wbo | 3 years ago | |
xtb.out | 3 years ago | |
xtbopt.log | 3 years ago | |
xtbopt.xyz | 3 years ago | |
xtbrestart | 3 years ago | |
xtbscan.log | 3 years ago | |
xtbtopo.mol | 3 years ago |