Gromacs  2022.2
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
Classes | Functions
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

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...
 

Function Documentation

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.