Pre-release

This release is a pre-release and may not be stable for production use.

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
Data sourced directly from PyPI's database.
  • 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

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

AaronTools-1.0b3.tar.gz (2.4 MB view details)

Uploaded Source

Built Distribution

If you're not sure about the file name format, learn more about wheel file names.

AaronTools-1.0b3-py3-none-any.whl (2.7 MB view details)

Uploaded Python 3

File details

Details for the file AaronTools-1.0b3.tar.gz.

File metadata

  • Download URL: AaronTools-1.0b3.tar.gz
  • Upload date:
  • Size: 2.4 MB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/3.1.1 pkginfo/1.5.0.1 requests/2.24.0 setuptools/46.1.3 requests-toolbelt/0.9.1 tqdm/4.42.1 CPython/3.8.6

File hashes

Hashes for AaronTools-1.0b3.tar.gz
Algorithm Hash digest
SHA256 24ad6b33b5fc48256312840acba10e8c8b1a535674dfa44642afa534b7c249ce
MD5 9a113329facc5b9849aeb6ea79aeaa48
BLAKE2b-256 219598ab8e9bd98b83175081d850303fb09e44fee43f057e8944bed8412d50fc

See more details on using hashes here.

File details

Details for the file AaronTools-1.0b3-py3-none-any.whl.

File metadata

  • Download URL: AaronTools-1.0b3-py3-none-any.whl
  • Upload date:
  • Size: 2.7 MB
  • Tags: Python 3
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/3.1.1 pkginfo/1.5.0.1 requests/2.24.0 setuptools/46.1.3 requests-toolbelt/0.9.1 tqdm/4.42.1 CPython/3.8.6

File hashes

Hashes for AaronTools-1.0b3-py3-none-any.whl
Algorithm Hash digest
SHA256 e5c555ecae407d4380b2c16dec956d49bca884bc1d2299c2ceaf281f36bd194f
MD5 eaa93a32901e29d460c297247031c39c
BLAKE2b-256 5c647f38c4b8062c0148578d47b700537151ecf0aef777d45b8cda2a782137e3

See more details on using hashes here.

Supported by

AWS Cloud computing and Security Sponsor Datadog Monitoring Depot Continuous Integration Fastly CDN Google Download Analytics Pingdom Monitoring Sentry Error logging StatusPage Status page