dxtb.components.base

dxtb.components.base#

Components: Base Classes#

Base classes for all tight-binding components and component lists and caches.

Classes

Classical

Base class for calculation of classical contributions.

ClassicalABC

Abstract base class for calculation of classical contributions.

ClassicalCache

Restart data for individual classical contributions.

Component

Base class for all tight-binding terms.

ComponentCache

Cache of a component.

Interaction

Base class for defining interactions with the charge density.

InteractionCache

Restart data for individual interactions, extended by subclasses as needed.

InteractionList

List of interactions.

InteractionListCache

Restart data for individual interactions, extended by subclasses as needed.