Skip to content

BradenDKelly/iodata

 
 

Repository files navigation

IOData

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.

About

No description, website, or topics provided.

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages

  • Python 99.6%
  • Batchfile 0.4%