Fixed bug in getTotalDipoles in AmoebaCudaKernels.cpp

67385273 · Saurabh Belsare · 18efc03e · 67385273
Commit 67385273 authored Feb 04, 2016 by Saurabh Belsare
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plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp +2 -2

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--- a/plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
+++ b/plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp
@@ -1819,7 +1819,7 @@ void CudaCalcAmoebaMultipoleForceKernel::getTotalDipoles(ContextImpl& context, v
    dipoles.resize(numParticles);
    const vector<int>& order = cu.getAtomIndex();
    if (cu.getUseDoublePrecision()) {
-        vector<double> posqVec;
+        vector<double4> posqVec;
        vector<double> labDipoleVec;
        vector<double> inducedDipoleVec;
        vector<double> totalDipoleVecX(numParticles);
@@ -1836,7 +1836,7 @@ void CudaCalcAmoebaMultipoleForceKernel::getTotalDipoles(ContextImpl& context, v
        }
    }
    else {
-        vector<float> posqVec;
+        vector<float4> posqVec;
        vector<float> labFramePermanentDipolesVec;
        vector<float> inducedDipolesVec;
        vector<float> totalDipoleVecX(numParticles);