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gmx::cellInfo Struct Reference

#include <gromacs/mdlib/gpuforcereduction_impl.h>

Description

structure to hold cell information for any nbat-format forces

Public Attributes

const int * cell = nullptr
 cell index mapping for any nbat-format forces
 
DeviceBuffer< int > d_cell
 device copy of cell index mapping for any nbat-format forces
 
int cellSize = -1
 number of atoms in cell array
 
int cellSizeAlloc = -1
 number of atoms allocated in cell array
 

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