exatomic 0.6.0

A unified platform for theoretical and computational chemists.

[](https://exa-analytics.github.io)

A unified platform for computational chemists

 

# Installation [](https://conda.anaconda.org/exaanalytics)

[](https://badge.fury.io/py/exatomic)

Exa is available through [anaconda](https://www.continuum.io/downloads)

$ conda install -c exaanalytics exatomic

or [pypi](https://pypi.python.org/pypi).

$ pip install exatomic $ jupyter nbextension enable –py –sys-prefix exatomic

# Getting Started

See [docs](https://exa-analytics.github.io/exatomic/) for usage.

Building the docs requires [sphinx](http://www.sphinx-doc.org/en/stable). On Linux or Mac:

$ cd docs $ make html

On Windows:

$ cd docs $ ./make.bat html

# Contributing

[](https://travis-ci.org/exa-analytics/exatomic)

[](https://ci.appveyor.com/project/avmarchenko/exatomic)

[](https://www.codacy.com/gh/exa-analytics/exatomic?utm_source=github.com&utm_medium=referral&utm_content=exa-analytics/exatomic&utm_campaign=Badge_Grade)

[](https://coveralls.io/github/exa-analytics/exatomic?branch=master)

For a development ready installation:

$ git clone https://github.com/exa-analytics/exatomic.git $ cd exatomic $ pip install -e . $ jupyter nbextension install –py –symlink –sys-prefix exatomic $ jupyter nbextension enable –py –sys-prefix exatomic

Note that this requires npm. On Windows, symlinks will not work but as a work- around, extensions can be recompiled and reinstalled upon edits without the need to reinstall the package.

# Reference [](https://zenodo.org/badge/latestdoi/23807/exa-analytics/exatomic)

# Legal [](http://www.apache.org/licenses/LICENSE-2.0) Copyright (c) 2015-2022, Exa Analytics Development Team Distributed under the terms of the Apache License 2.0