schrodinger.application.matsci.qexsd.utils module¶
Helper functions/classes for qexsd.
Copyright Schrodinger, LLC. All rights reserved.
- 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