hoomd.operation
Overview
Compute properties of the simulation's state. |
|
Advance the simulation state forward one time step. |
|
Represents an operation. |
|
Adjust the parameters of other operations to improve performance. |
|
Operations that include a trigger to determine when to run. |
|
Change the simulation's state. |
|
Write output that depends on the simulation's state. |
Details
Operation class types.
Operations act on the state of the system at defined points during the
simulation’s run loop. Add operation objects to the Simulation.operations
collection.
- class hoomd.operation.Operation
Represents an operation.
Operations in the HOOMD-blue data scheme are objects that operate on a
hoomd.Simulation
object. They broadly consist of 5 subclasses:Updater
,Writer
,Compute
,Tuner
, andIntegrator
. All HOOMD-blue operations inherit from one of these five base classes. To find the purpose of each class see its documentation.Warning
This class should not be instantiated by users. The class can be used for
isinstance
orissubclass
checks.Note
Developers or those contributing to HOOMD-blue, see our architecture file for information on HOOMD-blue’s architecture decisions regarding operations.
- __dir__()
Expose all attributes for dynamic querying in notebooks and IDEs.
- class hoomd.operation.Compute
Bases:
Operation
Compute properties of the simulation’s state.
A compute is an operation which computes some property for another operation or use by a user.
Warning
This class should not be instantiated by users. The class can be used for
isinstance
orissubclass
checks.
- class hoomd.operation.Integrator
Bases:
Operation
Advance the simulation state forward one time step.
An integrator is the operation which evolves a simulation’s state in time. In
hoomd.hpmc
, integrators perform particle based Monte Carlo moves. Inhoomd.md
, thehoomd.md.Integrator
class organizes the forces, equations of motion, and other factors of the given simulation.Warning
This class should not be instantiated by users. The class can be used for
isinstance
orissubclass
checks.
- class hoomd.operation.TriggeredOperation(trigger)
Bases:
Operation
Operations that include a trigger to determine when to run.
Warning
This class should not be instantiated by users. The class can be used for
isinstance
orissubclass
checks.
- class hoomd.operation.Tuner(trigger)
Bases:
TriggeredOperation
Adjust the parameters of other operations to improve performance.
A tuner is an operation which tunes the parameters of another operation for performance or other reasons. A tuner does not modify the current microstate of the simulation. That is a tuner does not change quantities like temperature, particle position, or the number of bonds in a simulation.
Warning
This class should not be instantiated by users. The class can be used for
isinstance
orissubclass
checks.
- class hoomd.operation.Updater(trigger)
Bases:
TriggeredOperation
Change the simulation’s state.
An updater is an operation which modifies a simulation’s state.
Warning
This class should not be instantiated by users. The class can be used for
isinstance
orissubclass
checks.
- class hoomd.operation.Writer(trigger)
Bases:
TriggeredOperation
Write output that depends on the simulation’s state.
A writer is an operation which writes out a simulation’s state.
Warning
This class should not be instantiated by users. The class can be used for
isinstance
orissubclass
checks.