Setting forces to zero before calculation is not required
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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@ -118,15 +118,6 @@ double computeForceLJ_4xn(Parameter *param, Atom *atom, Neighbor *neighbor, Stat
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MD_SIMD_FLOAT c05_vec = simd_broadcast(0.5);
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const int unroll_j = CLUSTER_DIM_N / CLUSTER_DIM_M;
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for(int ci = 0; ci < atom->Nclusters_local; ci++) {
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MD_FLOAT *fptr = cluster_force_ptr(ci);
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for(int cii = 0; cii < atom->clusters[ci].natoms; cii++) {
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cluster_x(fptr, cii) = 0.0;
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cluster_y(fptr, cii) = 0.0;
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cluster_z(fptr, cii) = 0.0;
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}
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}
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double S = getTimeStamp();
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LIKWID_MARKER_START("force");
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