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AaronTools provides a collection of tools for automating routine tasks encountered when running quantum chemistry computations.

These tools can be used either directly with a Perl script using AaronTools objects, or via a series of command-line scripts.

The Tutorials below will walk you through setting up AaronTools as well as using the command-line scripts to automate routine tasks.

Future tutorials will focus on programming with AaronTools.

Minimal Requirements

1. Perl
2. Math::MatrixReal
3. Math::Vector::Real

If you need help or have questions/comments about AaronTools, please contact us at catalysttrends@uga.edu

Tutorials

• Setting up AaronTools
• Creating a New Ligand Type
• Creating a New Substituent Type
• Introduction to AaronTools: Command Line Scripts

Libraries

• Ligand Library
• Substituent Library