patonlab / GoodVibes

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
http://www.patonlab.colostate.edu
MIT License
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create entry_point for goodvibes during installation #41

Closed fdroessler closed 3 years ago

fdroessler commented 3 years ago

Small PR to add an entry_point during installation. This essentially would allow users to run goodvibes -h to achieve the same thing as previously done by python -m goodvibes -h