grimme-lab / xtb

Semiempirical Extended Tight-Binding Program Package
https://xtb-docs.readthedocs.io/
GNU Lesser General Public License v3.0
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Update docs mentioning `xtb-python` #1055

Open Andrew-S-Rosen opened 2 weeks ago

Andrew-S-Rosen commented 2 weeks ago

The latest docs say to go to xtb-python if you want a Python interface, but the README of xtb-python points out that it is no longer supported and tblite should be used instead. Therefore, I recommend updating the xtb docs to instead point to tblite directly.

awvwgk commented 2 weeks ago

There is already a warning banner for the deprecation of xtb-python and a link for tblite, but it would be better to directly point to tblite