Metadata-Version: 2.1
Name: mxene
Version: 0.0.14
Summary: MXenes scripts
Author: wangchangxin
Author-email: 986798607@qq.com
Maintainer: wangchangxin
License: UNKNOWN
Platform: Windows
Platform: Unix
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Natural Language :: English
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: Unix
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Requires-Python: >=3.6
Description-Content-Type: text/markdown
License-File: LICENSE

# mxene
[![Python Versions](https://img.shields.io/pypi/pyversions/mxene.svg)](https://pypi.org/project/mxene/)
[![Version](https://img.shields.io/github/tag/boliqq07/mxene.svg)](https://github.com/boliqq07/releases/latest)
![pypi Versions](https://badge.fury.io/py/mxene.svg)
[![Documentation Status](https://readthedocs.org/projects/mxene/badge/?version=latest)](https://mxene.readthedocs.io/en/latest/?badge=latest)

mxene is one software to solving parallel problems for VASP calculation.

This software is optimized for 'MXene' material generation, 
calculation and analysis to achieve efficient data mining.

Using this software, you could:

1. Generate initial various kinds mxene structure and relevant VASP input.

2. Monitor VASP calculation processing.

3. Organize mxene data.

4. Extract structure features from crystal structure.

# Install

```bash
pip install mxene
```

# Initial configuration

Before first using, we recommend using the following methods 
to generate the configuration file.

```
>>> from mxene.conf_files import write_batch
>>> write_batch()
```

Support
----------------------
[![Jetbrains](jetbrains.svg)](https://jb.gg/OpenSource)


