Introduce plumbing for ObservablesReducer

[alexxy/gromacs.git] / src / gromacs / modularsimulator / nosehooverchains.cpp

diff --git a/src/gromacs/modularsimulator/nosehooverchains.cpp b/src/gromacs/modularsimulator/nosehooverchains.cpp
index da1ecbd2d7f13bdd5063cb72adb9a2f8cf3785c8..60826edc88255339eef54fd8a6de0caef34b1e42 100644 (file)
--- a/src/gromacs/modularsimulator/nosehooverchains.cpp
+++ b/src/gromacs/modularsimulator/nosehooverchains.cpp
@@ -712,6 +712,7 @@ ISimulatorElement* NoseHooverChainsElement::getElementPointerImpl(
         EnergyData*                     energyData,
         FreeEnergyPerturbationData gmx_unused* freeEnergyPerturbationData,
         GlobalCommunicationHelper gmx_unused*  globalCommunicationHelper,
+        ObservablesReducer*                    observablesReducer,
         NhcUsage                               nhcUsage,
         Offset                                 offset,
         UseFullStepKE                          useFullStepKE,
@@ -729,6 +730,7 @@ ISimulatorElement* NoseHooverChainsElement::getElementPointerImpl(
                                  energyData,
                                  freeEnergyPerturbationData,
                                  globalCommunicationHelper,
+                                 observablesReducer,
                                  nhcUsage,
                                  offset,
                                  useFullStepKE,
@@ -743,11 +745,12 @@ ISimulatorElement* NoseHooverChainsElement::getElementPointerImpl(
         EnergyData*                     energyData,
         FreeEnergyPerturbationData gmx_unused* freeEnergyPerturbationData,
         GlobalCommunicationHelper gmx_unused* globalCommunicationHelper,
-        NhcUsage                              nhcUsage,
-        Offset                                offset,
-        UseFullStepKE                         useFullStepKE,
-        ScheduleOnInitStep                    scheduleOnInitStep,
-        const PropagatorTag&                  propagatorTag)
+        ObservablesReducer gmx_unused* observablesReducer,
+        NhcUsage                       nhcUsage,
+        Offset                         offset,
+        UseFullStepKE                  useFullStepKE,
+        ScheduleOnInitStep             scheduleOnInitStep,
+        const PropagatorTag&           propagatorTag)
 {
     if (!builderHelper->simulationData<NoseHooverChainsData>(NoseHooverChainsData::dataID(nhcUsage)))
     {