Introduce plumbing for ObservablesReducer

[alexxy/gromacs.git] / src / gromacs / modularsimulator / andersentemperaturecoupling.h

diff --git a/src/gromacs/modularsimulator/andersentemperaturecoupling.h b/src/gromacs/modularsimulator/andersentemperaturecoupling.h
index cba4b56f9595efbfed1e40a74ca5339c30acc437..6cab2cad2844dec2a829e1be42d3c411f0ab0db0 100644 (file)
--- a/src/gromacs/modularsimulator/andersentemperaturecoupling.h
+++ b/src/gromacs/modularsimulator/andersentemperaturecoupling.h
@@ -92,7 +92,8 @@ public:
      * \param statePropagatorData  Pointer to the \c StatePropagatorData object
      * \param energyData  Pointer to the \c EnergyData object
      * \param freeEnergyPerturbationData  Pointer to the \c FreeEnergyPerturbationData object
-     * \param globalCommunicationHelper  Pointer to the \c GlobalCommunicationHelper object
+     * \param globalCommunicationHelper   Pointer to the \c GlobalCommunicationHelper object
+     * \param observablesReducer          Pointer to the \c ObservablesReducer object
      *
      * \return  Pointer to the element to be added. Element needs to have been stored using \c storeElement
      */
@@ -101,7 +102,8 @@ public:
                                                     StatePropagatorData*        statePropagatorData,
                                                     EnergyData*                 energyData,
                                                     FreeEnergyPerturbationData* freeEnergyPerturbationData,
-                                                    GlobalCommunicationHelper* globalCommunicationHelper);
+                                                    GlobalCommunicationHelper* globalCommunicationHelper,
+                                                    ObservablesReducer*        observablesReducer);
 
     //! Returns the frequency at which temperature coupling is performed
     [[nodiscard]] int frequency() const;