ejplugins

Parser plugins for the jsonextended package 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:

from ejplugins.qespresso import QEmainPlugin
with open("path/to/my.qe.out") as f:
    output = QEmainPlugin.read_file(f)

Or with jsonextended:

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.