Gromacs
2020.4
|
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"
Declares the SIMD 2xNN pruning only kernel.
Functions | |
void | nbnxn_kernel_prune_2xnn (NbnxnPairlistCpu *nbl, const nbnxn_atomdata_t *nbat, const rvec *__restrict shift_vec, real rlistInner) |
Prune a single NbnxnPairlistCpu entry with distance rlistInner . More... | |
void nbnxn_kernel_prune_2xnn | ( | NbnxnPairlistCpu * | nbl, |
const nbnxn_atomdata_t * | nbat, | ||
const rvec *__restrict | shift_vec, | ||
real | rlistInner | ||
) |
Prune a single NbnxnPairlistCpu entry with distance rlistInner
.
Reads a cluster pairlist nbl->ciOuter
, nbl->cjOuter
and writes all cluster pairs within rlistInner
to nbl->ci
, nbl->cj
.