atomate2.cp2k.schemas.task

Core definition of a CP2K task document.

Classes

AnalysisSummary	Calculation relaxation summary.
AtomicKind	A representation of the most important information about each type of species.
AtomicKindSummary	A summary of pseudo-potential type and functional.
InputSummary	Summary of inputs for a CP2K calculation.
OutputSummary	Summary of the outputs for a CP2K calculation.
TaskDocument	Definition of CP2K task document.