schrodinger.application.matsci.qexsd.utils module¶
Helper functions/classes for qexsd.
Copyright Schrodinger, LLC. All rights reserved.
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schrodinger.application.matsci.qexsd.utils.
xml2in
(xml_fn, warning=False)¶ Convert XML file to .in QE format.
Parameters: - xml_fn (str) – XML filename
- warning (bool) – Print warning if True
Return type: str
Returns: .in filename