parser plugins for jsonextended

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  • License: MIT License (MIT)
  • Author: Chris Sewell
  • Tags python, parser, quantum-espresso, crystal, lammps, gulp
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Project description

ejplugins

Build_Status PyPI

Parser plugins for the jsonextended package and validation schema, to convert output files from materials simulation packages to a JSON format.

Usage

>> 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.

Supported by

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