Gromacs  2022.2
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Classes | Functions
kernel_prune.h File Reference
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"
+ Include dependency graph for kernel_prune.h:

Description

Declares the SIMD 2xNN pruning only kernel.

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

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_2xnn (NbnxnPairlistCpu *nbl, const nbnxn_atomdata_t *nbat, gmx::ArrayRef< const gmx::RVec > shift_vec, real rlistInner)
 Prune a single NbnxnPairlistCpu entry with distance rlistInner. More...
 

Function Documentation

void nbnxn_kernel_prune_2xnn ( NbnxnPairlistCpu nbl,
const nbnxn_atomdata_t nbat,
gmx::ArrayRef< const gmx::RVec 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.