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)[source]

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