atomate2.aims.schemas.task

A definition of a MSON document representing an FHI-aims task.

Classes

AimsTaskDoc	Definition of FHI-aims task document.
AnalysisDoc	Calculation relaxation summary.
ConvergenceSummary	Summary of the outputs for an FHI-aims convergence calculation.
InputDoc	Summary of inputs for an FHI-aims calculation.
OutputDoc	Summary of the outputs for an FHI-aims calculation.
Species	A representation of the most important information about each type of species.
SpeciesSummary	A summary of species defaults.