Gromacs
2025.0-dev-20241029-e106fce
|
#include <memory>
#include <optional>
#include <utility>
#include <vector>
#include "gromacs/compat/pointers.h"
#include "modularsimulatorinterfaces.h"
Declares the signallers for the modular simulator.
This header is only used within the modular simulator module
Classes | |
class | gmx::SignallerBuilder< Signaller > |
Builder for signallers. More... | |
class | gmx::NeighborSearchSignaller |
Element signalling a neighbor search step. More... | |
class | gmx::LastStepSignaller |
Element signalling the last step. More... | |
class | gmx::LoggingSignaller |
Element signalling a logging step. More... | |
class | gmx::TrajectorySignaller |
Element signalling trajectory writing. More... | |
class | gmx::EnergySignaller |
Element signalling energy related special steps. More... | |
Enumerations | |
enum | gmx::EnergySignallerVirialMode { gmx::EnergySignallerVirialMode::Off, gmx::EnergySignallerVirialMode::OnStep, gmx::EnergySignallerVirialMode::OnStepAndNext, gmx::EnergySignallerVirialMode::Count } |
When we calculate virial. More... | |