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JoshuaSBrown / QC_Tools

This small repository provides functionality for calculating the charge transfer integrals between two molecules.
MIT License
28 stars 14 forks source link

terminate called after throwing an instance of 'std::out_of_range' #22

Open ghost opened 5 years ago

ghost commented 5 years ago

I am running your example. But after reading 93 line in main.cpp, it terminated. the error is terminate called after throwing an instance of 'std::out_of_range'

JoshuaSBrown commented 5 years ago

This was found to be a result of not using the correct download commands with the large tutorial files. Though a more useful error message would also be helpful.

JoshuaSBrown commented 5 years ago

@yongx837 Are you still having problems with this?