nvalchemi.dynamics.Hook

class nvalchemi.dynamics.Hook(*args, **kwargs)

Protocol defining the interface for dynamics hooks.

Hooks are callable objects that can be registered with a dynamics engine to perform custom operations at specific stages of the simulation. They are executed in-place and can modify the batch.

Users are expected to be able to develop their own hooks either by subclassing the Hook protocol class, or simply by ensuring that the class they intend to use as a hook provides the expected signature.

frequency

Execute the hook every N steps. A frequency of 1 means every step, 2 means every other step, etc.

Type:

int

stage

The stage at which this hook should be fired.

Type:

HookStageEnum

__init__(*args, **kwargs)

Methods

__init__(*args, **kwargs)

Attributes

frequency
stage