Published September 3, 2019 | Version 1.1.1
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AutoGAMESS: A Python package for automation of GAMESS(US) Raman calculations

  • 1. University of Central Florida Physics Department

Description

This is a python module for automating the generation of input files and parsing of log files with end goal of generating Raman data using the GAMESS(us) Quantum Chemistry software.

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10.21105.joss.01612.pdf

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