Gromacs
2024.4
|
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"
Declares the C reference pruning only kernel.
Classes | |
class | gmx::ArrayRef< typename > |
STL-like interface to a C array of T (or part of a std container of T). More... | |
Functions | |
void | nbnxn_kernel_prune_ref (NbnxnPairlistCpu *nbl, const nbnxn_atomdata_t *nbat, gmx::ArrayRef< const gmx::RVec > shiftvec, real rlistInner) |
Prune a single NbnxnPairlistCpu entry with distance rlistInner . More... | |
void nbnxn_kernel_prune_ref | ( | NbnxnPairlistCpu * | nbl, |
const nbnxn_atomdata_t * | nbat, | ||
gmx::ArrayRef< const gmx::RVec > | shiftvec, | ||
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
.