Suggestion: Clarify the distinction between tblite
and xtb-python
in the README
#100
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documentation
Improvements or additions to documentation
As noted here, apparently
tblite
is the preferred route in terms of using a Python interface toxtb
. This, and the overall distinction between when to usextb-python
vs.tblite
, should probably be added to the README to help the user out.The text was updated successfully, but these errors were encountered: