parser plugins for jsonextended
Project description
ejplugins
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.
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