gmx::PlainPairlist Struct Reference

#include <gromacs/nbnxm/nbnxm.h>

Description

A plain pairlist that can contain both normal and excluded pairs.

The first element of each entry is the atom pair, the second is the shift vector index. The distance vector is then given by: x[first.first] - x[first.second] + shiftVector[second]

Public Types
using	ParticlePair = std::pair< int, int >
using	PairlistEntry = std::pair< ParticlePair, int >

Public Attributes
std::vector< PairlistEntry >	pairs
	List of normal pairs.
std::vector< PairlistEntry >	excludedPairs
	List of excluded atom pairs.

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

• src/gromacs/nbnxm/nbnxm.h