Fix OpenCL posq setup with zero charges

63ea7033 · Andy Simmonett · 1f2697a1 · 63ea7033
Unverified Commit 63ea7033 authored Oct 06, 2018 by Andy Simmonett
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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
@@ -1620,8 +1620,7 @@ void OpenCLCalcNonbondedForceKernel::initialize(const System& system, const Nonb
    bool useCutoff = (nonbondedMethod != NoCutoff);
    bool usePeriodic = (nonbondedMethod != NoCutoff && nonbondedMethod != CutoffNonPeriodic);
    doLJPME = (nonbondedMethod == LJPME && hasLJ);
-    if (hasCoulomb)
-        usePosqCharges = cl.requestPosqCharges();
+    usePosqCharges = hasCoulomb ? cl.requestPosqCharges() : false;
    map<string, string> defines;
    defines["HAS_COULOMB"] = (hasCoulomb ? "1" : "0");
    defines["HAS_LENNARD_JONES"] = (hasLJ ? "1" : "0");