AiiDA-FLEUR Data Plugins¶
AiiDA-FLEUR data plugins include:
FleurinpData
structure (FleurinpData)FleurinpModifier
structure (FleurinpModifier)
FleurinpData
is a
Data
type that represents input files needed for the FLEUR code and
methods to work with them. They include inp.xml and some other situational files.
Finally, FleurinpModifier
consists of methods to
change existing FleurinpData
in
a way to preserve data provenance.