mdmodulesnotifiers.h File Reference

#include <string>
#include <vector>
#include "gromacs/math/arrayrefwithpadding.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdrunutility/mdmodulesnotifier.h"

Include dependency graph for mdmodulesnotifiers.h:

This graph shows which files directly or indirectly include this file:

Description

Declares gmx::MDModulesNotifiers.

Author

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

Classes
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::QMInputFileName
	Notification for QM program input filename provided by user as command-line argument for grompp. More...
struct	gmx::MDModulesNotifiers
	Group of notifers to organize that MDModules can receive callbacks they subscribe to. More...