Gromacs  2019-beta2
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nonbonded_verlet_t Struct Reference

#include <gromacs/mdlib/nb_verlet.h>

+ Collaboration diagram for nonbonded_verlet_t:

Description

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

Public Attributes

std::unique_ptr
< NbnxnListParameters > 
listParams
 Parameters for the search and list pruning setup.
 
std::unique_ptr< nbnxn_search > 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_tgpu_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: