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Questions about xtb-python and xtb #1199

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zengkaipeng opened this issue Feb 23, 2025 · 1 comment
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Questions about xtb-python and xtb #1199

zengkaipeng opened this issue Feb 23, 2025 · 1 comment
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support Question regarding this project or underlying method

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@zengkaipeng
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Are both xtb and xtb-python maintained by your team? If so, I would like to ask why the computational results obtained from xtb-python and xtb are not consistent. The details are shown in the xtb-python issue #121.
@marvinfriede marvinfriede added the support Question regarding this project or underlying method label Feb 27, 2025
@marvinfriede
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While we maintain xtb, xtb-python is no longer in development as written in the README. Please use tblite's Python bindings.

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@zengkaipeng @marvinfriede