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Integration with ASE #6

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NicoRenaud opened this issue Sep 9, 2022 · 0 comments

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vota/xtp

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NicoRenaud commented Sep 9, 2022 •

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The end goal is to integrate xtp into ASE They need calculators as documented there : https://wiki.fysik.dtu.dk/ase/ase/calculators/calculators.html#supported-calculators

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