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grimme-lab / dxtb

Efficient And Fully Differentiable Extended Tight-Binding
https://dxtb.readthedocs.io
Apache License 2.0
65 stars 10 forks source link

Enable CUDA pytest run #148

Closed marvinfriede closed 5 months ago

marvinfriede commented 5 months ago

pytest -vv -m 'not large' --cuda