Merge pull request #1402 from peastman/ewaldenergy

Part of the Ewald energy was being returned even when that force group wasn't requested

platforms/cuda/src/CudaKernels.cpp

@@ -1495,13 +1495,14 @@ public:
             addEnergyKernel(addEnergyKernel), pmeEnergyBuffer(pmeEnergyBuffer), forceGroup(forceGroup) {
     }
     double computeForceAndEnergy(bool includeForces, bool includeEnergy, int groups) {
-        if ((groups&(1<<forceGroup)) != 0)
+        if ((groups&(1<<forceGroup)) != 0) {
             cuStreamWaitEvent(cu.getCurrentStream(), event, 0);
             if (includeEnergy) {
                 int bufferSize = pmeEnergyBuffer.getSize();
                 void* args[] = {&pmeEnergyBuffer.getDevicePointer(), &cu.getEnergyBuffer().getDevicePointer(), &bufferSize};
                 cu.executeKernel(addEnergyKernel, args, bufferSize);
             }
+        }
         return 0.0;
     }
 private:

platforms/opencl/src/OpenCLKernels.cpp

@@ -1502,9 +1502,9 @@ public:
             events[0] = event;
             event = cl::Event();
             cl.getQueue().enqueueWaitForEvents(events);
-        }
             if (includeEnergy)
                 cl.executeKernel(addEnergyKernel, pmeEnergyBuffer.getSize());
+        }
         return 0.0;
     }
 private: