Gromacs  2023.2
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Member Functions
gmx::IMDModule Class Referenceabstract

#include <gromacs/mdtypes/imdmodule.h>

+ Inheritance diagram for gmx::IMDModule:


Extension module for GROMACS simulations.

The methods that return other interfaces can in the future return null for those interfaces that the module does not need to implement, but currently the callers are not prepared to generically handle various cases.

Public Member Functions

virtual IMdpOptionProvidermdpOptionProvider ()=0
 Returns an interface for handling mdp input (and tpr I/O).
virtual IMDOutputProvideroutputProvider ()=0
 Returns an interface for handling output files during simulation.
virtual void initForceProviders (ForceProviders *forceProviders)=0
 Initializes force providers from this module.
virtual void subscribeToSimulationSetupNotifications (MDModulesNotifiers *notifiers)=0
 Subscribe to simulation setup notifications.
virtual void subscribeToPreProcessingNotifications (MDModulesNotifiers *notifiers)=0
 Subscribe to pre processing notifications.

The documentation for this class was generated from the following file: