Gromacs
2024.3
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#include <gromacs/modularsimulator/signallers.h>
Element signalling trajectory writing.
During signalling phase, it checks whether the current step is a writing step for either the energy or the state (position, velocity, forces) trajectory. It then notifies the signaller clients of the upcoming step.
The TrajectorySignaller works in close collaboration with the TrajectoryElement which does the actual trajectory writing during the simulation step.
Public Types | |
typedef ITrajectorySignallerClient | Client |
Define client type. | |
Public Member Functions | |
void | setup () override |
Prepare signaller. More... | |
void | signal (Step step, Time time) override |
Run the signaller at a specific step / time. More... | |
Public Member Functions inherited from gmx::ISignaller | |
virtual | ~ISignaller ()=default |
Standard virtual destructor. | |
Public Member Functions inherited from gmx::ILastStepSignallerClient | |
virtual | ~ILastStepSignallerClient ()=default |
Standard virtual destructor. | |
Friends | |
class | SignallerBuilder< TrajectorySignaller > |
Allow builder to construct. | |
Additional Inherited Members |
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overridevirtual |
Run the signaller at a specific step / time.
Informs clients when energy or state will be written.
step | The current time step |
time | The current time |
Implements gmx::ISignaller.