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Nbnxm::Grid::Dimensions Struct Reference

#include <gromacs/nbnxm/grid.h>

Description

The physical dimensions of a grid.

Public Attributes

rvec lowerCorner
 The lower corner of the (local) grid.
 
rvec upperCorner
 The upper corner of the (local) grid.
 
rvec gridSize
 The physical grid size: upperCorner - lowerCorner.
 
real atomDensity
 An estimate for the atom number density of the region targeted by the grid.
 
real maxAtomGroupRadius
 The maximum distance an atom can be outside of a cell and outside of the grid.
 
real cellSize [3-1]
 Size of cell along dimension x and y.
 
real invCellSize [3-1]
 1/size of a cell along dimensions x and y
 
int numCells [3-1]
 The number of grid cells along dimensions x and y.
 

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