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Unverified Commit 63ea7033 authored by Andy Simmonett's avatar Andy Simmonett
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Fix OpenCL posq setup with zero charges

parent 1f2697a1
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platforms/opencl/src/OpenCLKernels.cpp
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...@@ -1620,8 +1620,7 @@ void OpenCLCalcNonbondedForceKernel::initialize(const System& system, const Nonb ...@@ -1620,8 +1620,7 @@ void OpenCLCalcNonbondedForceKernel::initialize(const System& system, const Nonb
bool useCutoff = (nonbondedMethod != NoCutoff); bool useCutoff = (nonbondedMethod != NoCutoff);
bool usePeriodic = (nonbondedMethod != NoCutoff && nonbondedMethod != CutoffNonPeriodic); bool usePeriodic = (nonbondedMethod != NoCutoff && nonbondedMethod != CutoffNonPeriodic);
doLJPME = (nonbondedMethod == LJPME && hasLJ); doLJPME = (nonbondedMethod == LJPME && hasLJ);
if (hasCoulomb) usePosqCharges = hasCoulomb ? cl.requestPosqCharges() : false;
usePosqCharges = cl.requestPosqCharges();
map<string, string> defines; map<string, string> defines;
defines["HAS_COULOMB"] = (hasCoulomb ? "1" : "0"); defines["HAS_COULOMB"] = (hasCoulomb ? "1" : "0");
defines["HAS_LENNARD_JONES"] = (hasLJ ? "1" : "0"); defines["HAS_LENNARD_JONES"] = (hasLJ ? "1" : "0");
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