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Classes
mdmodulesnotifiers.h File Reference
#include <optional>
#include <string>
#include <vector>
#include "gromacs/math/arrayrefwithpadding.h"
#include "gromacs/math/matrix.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdrunutility/mdmodulesnotifier.h"
+ Include dependency graph for mdmodulesnotifiers.h:
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Description

Declares gmx::MDModulesNotifiers.

Author
Christian Blau blau@.nosp@m.kth..nosp@m.se

Classes

struct  gmx::MDModulesAtomsRedistributedSignal
 Notification that atoms may have been redistributed. More...
 
struct  gmx::MDModulesEnergyOutputToDensityFittingRequestChecker
 Check if module outputs energy to a specific field. More...
 
struct  gmx::MDModulesEnergyOutputToQMMMRequestChecker
 Check if QMMM module outputs energy to a specific field. More...
 
class  gmx::EnergyCalculationFrequencyErrors
 Collect errors for the energy calculation frequency. More...
 
struct  gmx::SimulationTimeStep
 Provides the simulation time step in ps. More...
 
struct  gmx::CoordinatesAndBoxPreprocessed
 Provides coordinates and simulation box. More...
 
struct  gmx::MdRunInputFilename
 Mdrun input filename. More...
 
struct  gmx::EdrOutputFilename
 Energy trajectory output filename from Mdrun. More...
 
struct  gmx::QMInputFileName
 Notification for QM program input filename provided by user as command-line argument for grompp. More...
 
struct  gmx::EnsembleTemperature
 Provides the constant ensemble temperature. More...
 
struct  gmx::MDModulesNotifiers
 Group of notifers to organize that MDModules can receive callbacks they subscribe to. More...