Gromacs  2025-dev-20240812-545ca5b
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Member Functions | Public Attributes
Nbnxm::Grid::Geometry Struct Reference

#include <gromacs/nbnxm/grid.h>

Description

The cluster and cell geometry of a grid.

Public Member Functions

 Geometry (PairlistType pairlistType)
 Constructs the cluster/cell geometry given the type of pairlist.
 

Public Attributes

bool isSimple
 Is this grid simple (CPU) or hierarchical (GPU)
 
int numAtomsICluster
 Number of atoms per cluster.
 
int numAtomsJCluster
 Number of atoms for list j-clusters.
 
int numAtomsPerCell
 Number of atoms per cell.
 
int numAtomsICluster2Log
 2log of na_c
 

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