Use unique_ptr<ListedForcesGpu> in forcerec

[alexxy/gromacs.git] / src / gromacs / mdtypes / forcerec.h

diff --git a/src/gromacs/mdtypes/forcerec.h b/src/gromacs/mdtypes/forcerec.h
index 8abdadfa9f068c4718962e64d6ca1b8c8d01233a..d4bcb4c350add584f95969cebec9eca4bf1c791f 100644 (file)
--- a/src/gromacs/mdtypes/forcerec.h
+++ b/src/gromacs/mdtypes/forcerec.h
@@ -257,8 +257,8 @@ struct t_forcerec
     // The listed forces calculation data, 1 entry or multiple entries with multiple time stepping
     std::vector<ListedForces> listedForces;
 
-    /* TODO: Replace the pointer by an object once we got rid of C */
-    gmx::ListedForcesGpu* listedForcesGpu = nullptr;
+    // The listed forces calculation data for GPU
+    std::unique_ptr<gmx::ListedForcesGpu> listedForcesGpu;
 
     /* Ewald correction thread local virial and energy data */
     int                              nthread_ewc = 0;