JuDFTteam / aiida-fleur

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
https://aiida-fleur.readthedocs.io
Other
14 stars 7 forks source link

Support for passing etree.Elements to modification methods #117

Closed janssenhenning closed 2 years ago

janssenhenning commented 3 years ago

Some of the XML modification methods allow the passing of etree.Elements as arguments. Most notably replace_tag/xml_replace_tag requires a etree.Element. If they are used in the Fleurinpmodifier however, they can not be used with the freeze method since the calcfunction will serialize the etree.elements as lists.

Either this limitation needs to be communicated more clearly with an error or we need a Data plugin for etree Elements