# AaronTools.py
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 Python script using AaronTools objects, or via a series of command-line scripts. 

See the Wiki (https://github.com/QChASM/AaronTools.py/wiki) for installation and usage.

AaronTools  is described in
"QChASM: Quantum Chemistry Automation and Structure Manipulation" WIREs Comp. Mol. Sci. 11, e1510 (2021) (http://dx.doi.org/10.1002/wcms.1510).

A Perl implementation of AaronTools is also available here. (https://github.com/QChASM/AaronTools)
However, users are strongly urged to use the Python version since it has far more powerful features and, unlike the Perl version, will continue to be developed and supported.

## Citation
If you use the Python AaronTools, please cite:

V. M. Ingman, A. J. Schaefer, L. R. Andreola, and S. E. Wheeler "QChASM: Quantum Chemistry Automation and Structure Manipulation" WIREs Comp. Mol. Sci. 11, e1510 (2021) (http://dx.doi.org/10.1002/wcms.1510)

## Contact
If you have any questions or would like to discuss bugs or additional needed features, feel free to contact us at qchasm@uga.edu
