atomate2.aims.schemas.taskΒΆ

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.