Gromacs
2024.4
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#include <gromacs/nbnxm/pairlistwork.h>
Struct for storing coordinates and bounding box for an i-entry during search.
Public Attributes | |
AlignedVector< Nbnxm::BoundingBox > | bb |
The bounding boxes, pbc shifted, for each cluster. | |
std::vector< real > | x |
The coordinates, pbc shifted, for each atom. | |
AlignedVector< real > | xSimd |
Aligned list for storing 4*DIM*GMX_SIMD_REAL_WIDTH reals. | |