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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 for installation and usage.

A Perl implementation of AaronTools is also available here. 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.

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

Project links

Key dates

PyPI data
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  • Released:
Newer release available (1.1)

1 maintainer

PyPI data
Data sourced directly from PyPI's database.
Avatar for qchasm from gravatar.com qchasm

Credits

Author: QChASM

License

GNU General Public License v3 (GPLv3)

Requires

Python >=3.5, <4

Tags

computational chemistry utility

Classifiers

Report project as malware

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