Skip to main content
Join the official 2020 Python Developers SurveyStart the survey!

Python Input and Output Library for Quantum Chemistry.

Project description

Travis Conda Pypi Codecov Version CondaVersion License

About

IOData is a HORTON 3 module for input/output of quantum chemistry file formats. Documentation is here: https://iodata.readthedocs.io/en/latest/index.html

Dependencies

The following dependencies will be necessary for IOData to build properly,

Installation

To install IOData using conda package management system, install miniconda or anaconda first, and then:

$ conda create -n iodata_env
$ source activate iodata_env
(iodata_env) $ conda install -c theochem iodata

See https://iodata.readthedocs.io/en/latest/install.html for full details.

Project details


Download files

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

Files for qc-iodata, version 1.0.0a1.post80
Filename, size File type Python version Upload date Hashes
Filename, size qc-iodata-1.0.0a1.post80.tar.gz (2.7 MB) File type Source Python version None Upload date Hashes View

Supported by

Pingdom Pingdom Monitoring Google Google Object Storage and Download Analytics Sentry Sentry Error logging AWS AWS Cloud computing DataDog DataDog Monitoring Fastly Fastly CDN DigiCert DigiCert EV certificate StatusPage StatusPage Status page