xTB in Other Quantum Chemistry Programs

grimme-lab / xtb_docs

https://xtb-docs.readthedocs.io/en/latest/

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Closed ltalirz closed 3 years ago

ltalirz commented 4 years ago

cp2k has an xtb implementation since version 7.1 https://www.cp2k.org/version_history

awvwgk commented 4 years ago

Thanks for the info. Feel free to open a PR to add it to the main page.

maburs commented 3 years ago

Thank you very much for this hint, I added CP2K to the list of codes with xtb implementations.