Comments (2)
This would be the best issue to start looking into: grimme-lab/xtb#403
from xtb-python.
@awvwgk I am very interested in this feature, is it still in the cards for this project? If so, I could take a swing at it, although I am unfamiliar with xtb and xtb-python source codes. Do you have some estimate of how much work would it be to add this?
Thanks!
Daniel Hollas
University of Bristol
from xtb-python.
Related Issues (20)
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