Remove foreign energy groups from gmx_enerdata_t

[alexxy/gromacs.git] / src / gromacs / nbnxm / nbnxm.h

diff --git a/src/gromacs/nbnxm/nbnxm.h b/src/gromacs/nbnxm/nbnxm.h
index 7939f1499d3d7abbe9debb0ef84f1d546e19963b..dfaaff41dc3a52a1ec818855d81dec37688cda9c 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm.h
+++ b/src/gromacs/nbnxm/nbnxm.h
@@ -138,6 +138,7 @@ struct t_lambda;
 struct t_nrnb;
 struct t_forcerec;
 struct t_inputrec;
+struct gmx_grppairener_t;
 
 class GpuEventSynchronizer;
 
@@ -429,6 +430,8 @@ private:
     Nbnxm::KernelSetup kernelSetup_;
     //! \brief Pointer to wallcycle structure.
     gmx_wallcycle* wcycle_;
+    //! Temporary array for storing foreign lambda group pair energies
+    std::unique_ptr<gmx_grppairener_t> foreignEnergyGroups_;
 
 public:
     //! GPU Nbnxm data, only used with a physical GPU (TODO: use unique_ptr)