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Search results for gaussian compchem
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3 search results found
Goodvibes
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124
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
Aarontools.py
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33
Python tools for automating routine tasks encountered when running quantum chemistry computations.
Pyssian
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6
Pyssian is an object oriented library for parsing Gaussian logfiles and input files which aims to facilitate the everyday scripting of computational chemists using Gaussian.
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