emmet.core.neb

Schemas and utils for NEB calculations.

Classes

BarrierAnalysis	Define analysis schema for barrier calculations.
HopFailureReason	Define failure modes for ApproxNEB calculations.
NebIntermediateImagesDoc	Schema for high-level intermediate image NEB data.
NebMethod	Common methods for NEB calculations.
NebPathwayResult	Class for containing multiple NEB calculations, as along a reaction pathway.
NebResult	Container class to store high-level NEB calculation info.
NebTaskDoc	Define schema for VASP NEB tasks.
TYPE_CHECKING	bool(x) -> bool