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Commit f5ccdb60 authored by Mark Friedrichs's avatar Mark Friedrichs
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Minor optimization

parent 90a5e2db
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Showing with 9 additions and 6 deletions
plugins/amoeba/platforms/cuda/src/kernels/kCalculateAmoebaCudaPmeMutualInducedField.cu
View file @ f5ccdb60
...@@ -386,14 +386,17 @@ static void kSorUpdateMutualInducedField_kernel( ...@@ -386,14 +386,17 @@ static void kSorUpdateMutualInducedField_kernel(
// add self terms to fields // add self terms to fields
matrixProduct[pos] += term*previousDipole; float mProd = matrixProduct[pos];
matrixProductP[pos] += term*previousDipoleP; float mProdP = matrixProductP[pos];
inducedDipole[pos] = fixedEField[pos] + polarizability[pos]*matrixProduct[pos]; mProd += term*previousDipole;
inducedDipoleP[pos] = fixedEFieldP[pos] + polarizability[pos]*matrixProductP[pos]; mProdP += term*previousDipoleP;
inducedDipole[pos] = previousDipole + polarSOR*( inducedDipole[pos] - previousDipole ); float inducedDipoleI = fixedEField[pos] + polarizability[pos]*mProd;
inducedDipoleP[pos] = previousDipoleP + polarSOR*( inducedDipoleP[pos] - previousDipoleP ); float inducedDipoleIP = fixedEFieldP[pos] + polarizability[pos]*mProdP;
inducedDipole[pos] = previousDipole + polarSOR*( inducedDipoleI - previousDipole );
inducedDipoleP[pos] = previousDipoleP + polarSOR*( inducedDipoleIP - previousDipoleP );
matrixProduct[pos] = ( inducedDipole[pos] - previousDipole )*( inducedDipole[pos] - previousDipole ); matrixProduct[pos] = ( inducedDipole[pos] - previousDipole )*( inducedDipole[pos] - previousDipole );
matrixProductP[pos] = ( inducedDipoleP[pos] - previousDipoleP )*( inducedDipoleP[pos] - previousDipoleP ); matrixProductP[pos] = ( inducedDipoleP[pos] - previousDipoleP )*( inducedDipoleP[pos] - previousDipoleP );
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