https://github.com/chrisjsewell/ejplugins

parser plugins for the jsonextended package
https://github.com/chrisjsewell/ejplugins

crystal parser-plugin quantum-espresso

Last synced: 10 months ago
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parser plugins for the jsonextended package

• Host: GitHub
• URL: https://github.com/chrisjsewell/ejplugins
• Owner: chrisjsewell
• License: mit
• Created: 2017-09-21T09:23:04.000Z (over 8 years ago)
• Default Branch: master
• Last Pushed: 2019-03-04T14:36:02.000Z (almost 7 years ago)
• Last Synced: 2025-03-25T05:35:04.100Z (10 months ago)
• Topics: crystal, parser-plugin, quantum-espresso
• Language: Python
• Size: 83.1 MB
• Stars: 1
• Watchers: 2
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
# ejplugins

[![Build_Status](https://travis-ci.org/chrisjsewell/ejplugins.svg?branch=master)](https://travis-ci.org/chrisjsewell/ejplugins)

[![PyPI](https://img.shields.io/pypi/v/ejplugins.svg)](https://pypi.python.org/pypi/ejplugins/)

[![Anaconda-Server Badge](https://anaconda.org/conda-forge/ejplugins/badges/version.svg)](https://anaconda.org/conda-forge/ejplugins)

Parser plugins for the [jsonextended package](https://jsonextended.readthedocs.io) and validation schema, to convert

output files from materials simulation packages to a JSON format.

## Usage

### Conda (recommended)

    >> conda install -c conda-forge ejplugins

### Pip

    >> pip install ejplugins

or, to use Pymatgen and ASE parsers:

    >> pip install ejplugins[science]

Either use independently:

```python

from ejplugins.qespresso import QEmainPlugin

with open("path/to/my.qe.out") as f:

    output = QEmainPlugin.read_file(f)

```

Or with `jsonextended`:

```python

from ejplugins.qespresso import QEmainPlugin

from jsonextended import plugins, ejson

plugins.load_plugin_classes([QEmainPlugin])

ejson.to_dict("path/to/qespresso/outputs")

```

See ejplugins/test_files for example input/outputs.