Metadata-Version: 2.1
Name: AaronTools
Version: 1.0b7
Summary: Tools for measuring and manipulating molecular structures
Home-page: https://github.com/QChASM/AaronTools.py
Author: QChASM
Author-email: qchasm@uga.edu
License: UNKNOWN
Project-URL: Bug Reports, https://github.com/QChASM/AaronTools.py/issues
Project-URL: Source, https://github.com/QChASM/AaronTools.py
Keywords: computational chemistry utility
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Requires-Python: >=3.5, <4
Description-Content-Type: text/markdown
Requires-Dist: numpy
Requires-Dist: scipy
Provides-Extra: extras
Requires-Dist: pdfminer ; extra == 'extras'
Requires-Dist: jinja2 ; extra == 'extras'

# 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

