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NbnxnPairlistCpu Struct Reference

#include <gromacs/nbnxm/pairlist.h>

+ Collaboration diagram for NbnxnPairlistCpu:

Description

Cluster pairlist type for use on CPUs.

Public Attributes

gmx_cache_protect_t cp0
 Cache protection.
 
int na_ci
 The number of atoms per i-cluster.
 
int na_cj
 The number of atoms per j-cluster.
 
real rlist
 The radius for constructing the list.
 
FastVector< nbnxn_ci_tci
 The i-cluster list.
 
FastVector< nbnxn_ci_tciOuter
 The outer, unpruned i-cluster list.
 
FastVector< nbnxn_cj_tcj
 The j-cluster list, size ncj.
 
FastVector< nbnxn_cj_tcjOuter
 The outer, unpruned j-cluster list.
 
int ncjInUse
 The number of j-clusters that are used by ci entries in this list, will be <= cj.size()
 
int nci_tot
 The total number of i clusters.
 
std::unique_ptr
< NbnxnPairlistCpuWork
work
 Working data storage for list construction.
 
gmx_cache_protect_t cp1
 Cache protection.
 

The documentation for this struct was generated from the following files: