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xtb-python/xtb/interface.py at main · grimme-lab/xtb-python · GitHub

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GitHub - grimme-lab/xtb_docs

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GitHub - grimme-lab/xtb: Semiempirical Extended Tight-Binding Program ...

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Issues · grimme-lab/xtb · GitHub

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Constraint Options · Issue #926 · grimme-lab/xtb · GitHub

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Orca run mode · Issue #561 · grimme-lab/xtb · GitHub

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xtb | Grimme-Lab Workshop

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How to use GFN1(Si)-xTB? · grimme-lab xtb · Discussion #935 · GitHub

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