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tsoc
openmm
Commits
1f2697a1
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Commit
1f2697a1
authored
Oct 04, 2018
by
Andy Simmonett
Browse files
Fix uninitialized variable when Coulomb terms are missing
parent
6fb038b9
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platforms/cuda/src/CudaKernels.cpp
platforms/cuda/src/CudaKernels.cpp
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platforms/cuda/src/CudaKernels.cpp
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1f2697a1
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@@ -1628,8 +1628,8 @@ void CudaCalcNonbondedForceKernel::initialize(const System& system, const Nonbon
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@@ -1628,8 +1628,8 @@ void CudaCalcNonbondedForceKernel::initialize(const System& system, const Nonbon
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 ? cu.requestPosqCharges() : false;
usePosqCharges = cu.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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