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kernel_ref_prune.h File Reference
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"
+ Include dependency graph for kernel_ref_prune.h:

Description

Declares the C reference pruning only kernel.

Author
Berk Hess hess@.nosp@m.kth..nosp@m.se

Functions

void nbnxn_kernel_prune_ref (NbnxnPairlistCpu *nbl, const nbnxn_atomdata_t *nbat, const rvec *__restrict shift_vec, real rlistInner)
 Prune a single NbnxnPairlistCpu entry with distance rlistInner. More...
 

Function Documentation

void nbnxn_kernel_prune_ref ( 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.