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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

job terminating with the following error #65

Closed Sumona23rs closed 6 months ago

Sumona23rs commented 8 months ago

Running calc_J VERSION 1.9 terminate called after throwing an instance of 'std::runtime_error' what(): Unable to find file for flag --pun_P Aborted (core dumped)

Sumona23rs commented 6 months ago

haven't faced the same after re-installation.