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Unverified Commit 76780eef authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #2182 from andysim/posqfix 

Fix uninitialized variable when Coulomb terms are missing
parents 6fb038b9 63ea7033
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Showing with 3 additions and 4 deletions
platforms/cuda/src/CudaKernels.cpp
View file @ 76780eef
...@@ -1628,8 +1628,8 @@ void CudaCalcNonbondedForceKernel::initialize(const System& system, const Nonbon ...@@ -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");
......
platforms/opencl/src/OpenCLKernels.cpp
View file @ 76780eef
...@@ -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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