This Perl implimentation of AaronTools provides a collection of tools for automating routine tasks encountered when running quantum chemistry computations.
These tools can be used either directly within a Perl script using AaronTools objects, or via a series of command-line scripts.
A Python implementation of AaronTools is available here. The Python version of AatonTools has far more features, so is strongly recommended.
This Perl version of AaronTools will continue to be updated only for major bug fixes but is no longer being actively developed.
Documentation on installing and using AaronTools is available here.
If you use AaronTools, please cite the following papers:
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"AARON: An Automated Reaction Optimizer for New Catalysts", J. Chem. Theory Comput. 14, 5249 (2018)
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"QChASM: Quantum Chemistry Automation and Structure Manipulation" WIREs Comp. Mol. Sci. (in press, 2021)
If you have any questions, feel free to contact us at [email protected]