# AaronTools.py
This Python 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 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.

A description of the Python AaronTools implementation is described in
"QChASM: Quantum Chemistry Automation and Structure Manipulation" WIREs Comp. Mol. Sci. (in press, 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:
"QChASM: Quantum Chemistry Automation and Structure Manipulation" WIREs Comp. Mol. Sci. (in press, 2021) (http://dx.doi.org/10.1002/wcms.1510)

## Contact
If you have any questions, feel free to contact us at qchasm@uga.edu
