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update basic usage info
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pietrodelugas committed Feb 29, 2024
1 parent b209865 commit 7b8541b
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2 changes: 1 addition & 1 deletion README.rst
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Expand Up @@ -48,7 +48,7 @@ Quantum ESPRESSO suite:

.. code-block:: pycon
>>> pw_document.read("tests/examples/pw/Al001_relax_bfgs.xml")
>>> pw_document.read("tests/examples/pw/Si.xml")
Loaded data can be decoded to Python data dictionary or written to JSON or YAML formats:

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2 changes: 1 addition & 1 deletion docs/usage.rst
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Expand Up @@ -16,7 +16,7 @@ by qeschema.

>>> import qeschema
>>> doc = qeschema.PwDocument(schema='qes.xsd')
>>> doc.read('tests/resources/pw/Al001_relax_bfgs.xml')
>>> doc.read('tests/resources/pw/Si.xml')
>>> pw_data = doc.to_dict()
>>> control_variables = pw_data['qes:espresso']['input']['control_variables']

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