Gromacs
2020.4
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#include "gmxpre.h"
#include "pbc_simd.h"
#include "gromacs/math/vec.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/simd/simd.h"
This file defines a low-level function for SIMD PBC calculation.
Functions | |
void | set_pbc_simd (const t_pbc *pbc, real *pbc_simd) |
Set the SIMD PBC data from a normal t_pbc struct. More... | |
Set the SIMD PBC data from a normal t_pbc struct.
pbc | Type of periodic boundary, NULL can be passed for then no PBC will be used. |
pbc_simd | Pointer to aligned memory with (DIM + DIM*(DIM+1)/2) GMX_SIMD_REAL_WIDTH reals describing the box vectors unrolled by GMX_SIMD_REAL_WIDTH. These are sorted in a slightly non-standard order so that we always issue the memory loads in order (to improve prefetching) in pbc_correct_dx_simd(). The order is inv_bzz, bzx, bzy, bzz, inv_byy, byx, byy, inv_bxx, and bxx. |