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-1.0b1.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-1.0b1-py3-none-any.whl (66.0 kB view details)

Uploaded Python 3

File details

Details for the file AaronTools-1.0b1.tar.gz.

File metadata

  • Download URL: AaronTools-1.0b1.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-1.0b1.tar.gz
Algorithm Hash digest
SHA256 a0cb3d3842b4e83fa7f8c9df570573a2c094cd222b323b89168efa32a48c81f9
MD5 33a0c52ca758af83dfc63750f929562c
BLAKE2b-256 9173a4edcaf1d62060713191db04bb20c7822f4f585cda32c26d9401ddb6b86e

See more details on using hashes here.

File details

Details for the file AaronTools-1.0b1-py3-none-any.whl.

File metadata

  • Download URL: AaronTools-1.0b1-py3-none-any.whl
  • Upload date:
  • Size: 66.0 kB
  • 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-1.0b1-py3-none-any.whl
Algorithm Hash digest
SHA256 77e08e22968a97a7e0e4dc1751720b1375a80fd11a680c2b2f709be6db47fce2
MD5 a131762d53baf8b58c61d9407ddab45c
BLAKE2b-256 52eed8f6cd2f7e3d56f5faeda37ae09785edf626ea0112a584b4b2f8d82e7eb6

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