Computing energy without forces caused the array of forces to be overwritten

b45e0d8e · Peter Eastman · 5f95295e · b45e0d8e
Commit b45e0d8e authored Jan 11, 2012 by Peter Eastman
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platforms/opencl/src/OpenCLKernels.cpp platforms/opencl/src/OpenCLKernels.cpp +1 -2

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--- a/platforms/opencl/src/OpenCLKernels.cpp
+++ b/platforms/opencl/src/OpenCLKernels.cpp
@@ -107,8 +107,7 @@ void OpenCLCalcForcesAndEnergyKernel::beginComputation(ContextImpl& context, boo
 double OpenCLCalcForcesAndEnergyKernel::finishComputation(ContextImpl& context, bool includeForces, bool includeEnergy) {
    cl.getBondedUtilities().computeInteractions();
    cl.getNonbondedUtilities().computeInteractions();
-    if (includeForces)
-        cl.reduceForces();
+    cl.reduceForces();
    double sum = 0.0f;
    if (includeEnergy) {
        OpenCLArray<cl_float>& energy = cl.getEnergyBuffer();