Comments (2)
awvwgk
commented on June 15, 2024
The python wrapper has grown in size, therefore it has been moved to a python package called xtb, which should provide similar, but not the same functionality.
See https://github.com/grimme-lab/xtb/tree/master/python
from xtb.
awvwgk
commented on June 15, 2024
@chburger I hope this is answering your question. I will close this issue for now.
Feel free to follow up on this if something is left unanswered.
from xtb.
Related Issues (20)
- Optimization Error for Ag Metal Complex HOT 1
- Clarify copyright holders of dipro HOT 2
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- xtb 6.6.1 segfaults in testsuite on Fedora 40 HOT 7
- Keyword for Octanol (wet) HOT 3
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- Polarizability Per Atom
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from xtb.