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nonbonded_verlet_t Struct Reference

#include <gromacs/mdlib/nb_verlet.h>

+ Collaboration diagram for nonbonded_verlet_t:


Top-level non-bonded data structure for the Verlet-type cut-off scheme.

Public Attributes

< NbnxnListParameters > 
 Parameters for the search and list pruning setup.
nbnxn_search_t nbs
 n vs n atom pair searching data
int ngrp
 number of interaction groups
nonbonded_verlet_group_t grp [2]
 local and non-local interaction group
nbnxn_atomdata_t * nbat
 atom data
gmx_bool bUseGPU
 TRUE when non-bonded interactions are computed on a physical GPU.
EmulateGpuNonbonded emulateGpu
 true when non-bonded interactions are computed on the CPU using GPU-style pair lists
gmx_nbnxn_gpu_t * gpu_nbv
 pointer to GPU nb verlet data
int min_ci_balanced
 pair list balancing parameter used for the 8x8x8 GPU kernels

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