XTB ImportError #68
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doohyunkwon
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I'm running into issues using the xtb-python api. When I list out the packages in my conda environment, I see that xtb and xtb-python are installed.
But when I try to run this example code from the documentation:
I get a
ImportError: Install extra requirements to use this function: xtb xtb
If I run XTB on the command line:
morfeus xtb ammonia.xyz - - get_global_descriptor electrophilicity
I get a valid value returned.
Could someone please help? Thank you very much for your work btw!
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