SBNeighborSearchParticleSystemPBC

See also

SAMSON SDK: SBSNeighborSearchParticleSystemPBC

class samson.SBNeighborSearchParticleSystemPBC

Bases: SBNeighborSearch

This class is the base class of neighbor search algorithms that can be applied to particle systems with periodic boundary conditions.

getNeighborVector(self: samson.SBNeighborSearchParticleSystemPBC, i: int) → list[samson.SBAtom]

Returns indexer of all atoms which are neighbors for i-th particle

getNeighbors(*args, **kwargs)

Overloaded function.

1. getNeighbors(self: samson.SBNeighborSearchParticleSystemPBC, position: samson.SBPhysicalVector3, radius: samson.SBQuantity.unitsSI) -> list[samson.SBAtom]

Returns indexer of all atoms that are at a distance smaller than or equal to radius from the specified position

2. getNeighbors(self: samson.SBNeighborSearchParticleSystemPBC, box: samson.SBPhysicalIAVector3) -> list[samson.SBAtom]

Returns indexer of all atoms inside the box

initializeNeighborLists(self: samson.SBNeighborSearchParticleSystemPBC) → None

Initializes the neighbor list

updateNeighborLists(self: samson.SBNeighborSearchParticleSystemPBC) → None

Updates the neighbor list