Metadata-Version: 2.1
Name: chemio
Version: 1.2.0
Summary: Quantum Chemical Softwares Input Generater & Output Parser
Home-page: https://github.com/atomse/chemio
Author: Sky Zhang
Author-email: sky.atomse@gmail.com
Maintainer: Sky Zhang
Maintainer-email: sky.atomse@gmail.com
License: MIT License
Platform: Linux
Platform: Darwin
Classifier: Development Status :: 4 - Beta
Classifier: Operating System :: MacOS
Classifier: Operating System :: POSIX
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: Implementation
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Requires-Python: >=3
Description-Content-Type: text/markdown
Requires-Dist: numpy (>=1.14.2)
Requires-Dist: json-tricks (>=3.13.1)
Requires-Dist: requests (>=2.22.0)
Requires-Dist: atomtools (>=1.6.0)
Provides-Extra: curate
Requires-Dist: graphviz ; extra == 'curate'
Provides-Extra: docs
Requires-Dist: sphinx ; extra == 'docs'
Requires-Dist: sphinxcontrib-programoutput ; extra == 'docs'
Requires-Dist: sphinx-rtd-theme ; extra == 'docs'
Requires-Dist: numpydoc ; extra == 'docs'
Provides-Extra: tests
Requires-Dist: pytest (>=4.0) ; extra == 'tests'
Requires-Dist: pytest-cov ; extra == 'tests'

# CHEMIO


Chemical file IO


[![Build Status](https://travis-ci.org/atomse/chemio.svg?branch=master)](https://travis-ci.org/atomse/chemio)
[![PyPI](https://img.shields.io/pypi/v/chemio.svg)](https://pypi.org/project/chemio)


## read/write

```python
import chemio
chemio.read(filename, index)
chemio.write(arrays, filename, format)
```


## cli

```bash
# chemio -h
usage: chemio [-h] [-i INDEX] [-k KEY] [--type TYPE] filename

positional arguments:
  filename

optional arguments:
  -h, --help            show this help message and exit
  -i INDEX, --index INDEX
  -k KEY, --key KEY
  --type TYPE


chemio filename
```


