Persistent neighbour list with a LAMMPS skin. More...

#include <neighbours.hpp>

Public Member Functions
	SkinNeighborList (double cutoff, double skin, int typeI, BondGraph graph=BondGraph::KnnMutual, int k=4)
BondGraph	graph () const
const std::vector< std::vector< int > > &	update (const molSys::PointCloud< molSys::Point< double >, double > &yCloud)
bool	lastRebuilt () const
int	lastChangedAtoms () const
	Atoms whose cutoff bond set changed on the last update.
const std::vector< std::vector< int > > &	bonds () const

Detailed Description

Persistent neighbour list with a LAMMPS skin.

Vesin (or the brute-force fallback) builds candidates at cutoff+skin, which is the ghost halo: periodic images already sit in that shell. The cell list is rebuilt only when some atom has moved more than skin/2 from the last rebuild, the Verlet trigger. The bond graph for rings is the candidate pairs whose current distance is inside the analysis cutoff.

Definition at line 339 of file neighbours.hpp.

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

/home/runner/work/seams-core/seams-core/src/include/internal/neighbours.hpp

Public Member Functions

Detailed Description