AutoGAMESS: A Python package for automation of GAMESS(US) Raman calculations

Python Submitted 27 July 2019Accepted 04 September 2019
Review

Editor: @jedbrown
Reviewers: @arosen93, @shivupa, @colleeneb

Authors

Brian Ferrari (0000-0002-7416-8629)

Citation

Ferrari, (2019). AutoGAMESS: A Python package for automation of GAMESS(US) Raman calculations. Journal of Open Source Software, 4(41), 1612, https://doi.org/10.21105/joss.01612
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computational chemistry automation Raman molecular properties

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ISSN 2475-9066