Gromacs
2025-dev-20240508-5d2129b
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#include "clusterdistancekerneltype.h"
Declares the SIMD cluster pair distance kernel and helpers.
Functions | |
void | Nbnxm::setICellCoordinatesSimd4xM (int ci, const gmx::RVec &shift, int gmx_unused stride, const real *x, NbnxnPairlistCpuWork *work) |
Copies PBC shifted i-cell packed atom coordinates to working array for the 4xM layout. | |
void | Nbnxm::setICellCoordinatesSimd2xMM (int ci, const gmx::RVec &shift, int gmx_unused stride, const real *x, NbnxnPairlistCpuWork *work) |
Copies PBC shifted i-cell packed atom coordinates to working array for the 2xMM layout. | |
void | Nbnxm::makeClusterListSimd4xM (const Grid &jGrid, NbnxnPairlistCpu *nbl, int icluster, int firstCell, int lastCell, bool excludeSubDiagonal, const real *gmx_restrict x_j, real rlist2, float rbb2, int *gmx_restrict numDistanceChecks) |
SIMD code for checking and adding cluster-pairs to the list using the 4xM layout. More... | |
void | Nbnxm::makeClusterListSimd2xMM (const Grid &jGrid, NbnxnPairlistCpu *nbl, int icluster, int firstCell, int lastCell, bool excludeSubDiagonal, const real *gmx_restrict x_j, real rlist2, float rbb2, int *gmx_restrict numDistanceChecks) |
SIMD code for checking and adding cluster-pairs to the list using the 2xMM layout. More... | |